IngredientID 22173

Inositol

C6H12O6

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Experiment: 1Herb: 12Ingredient: 1Meta-analysis: 8Reference: 3Target: 12Links: 36

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 22173
Core Entity Id: 27829
Source Entity Count: 1
Preferred Name: Inositol
Name En
Pubchem Id: 892
Smiles Canonical: C1(C(C(C(C(C1O)O)O)O)O)O
Molecular Formula: C6H12O6
Molecular Weight: 180.1560
Inchikey: CDAISMWEOUEBRE-UHFFFAOYSA-N
Inchi: InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
Isomeric Smiles: C1(C(C(C(C(C1O)O)O)O)O)O
Cas Id: 87-89-8
Ob Score: 17.9870
Mol Logp: -3.8346
Num H Donors: 6
Num H Acceptors: 6
Num Rotatable Bonds: 0
Drug Likeness: 0.2270
Polar Surface Area: 121.3800
Molecular Volume: 137.1900
Alogp: -3.0650

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Myo-Inositol

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

D-Chiro-Inositol

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Inositol

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Inositol

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Inositol

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Inositol B

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Inositol b

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Inositol-b

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Inositol-b

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Inositol-b

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Myoinositol

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Myoinositol

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Myoinositol

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

inositol

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

inositol

Role

preferred

Source

TCMBank

Preferred

Yes

Name

myo-inositol

Role

preferred

Source

TCMBank

Preferred

Yes

Name

myoinositol

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

地锦草;常春藤;牛舌头;木通;枫香寄生;玉米须;艾叶;禹白附;金银花(忍冬);山矾根;乌头(川乌);蜂乳;北美鹅掌楸;羊胰;牛乳;败酱(白花败酱);长春花

Role

TCM_name

Source

TCMBank

Preferred

Name

莲子

Role

TCM_name

Source

TCMBank

Preferred

Name

DI JIN CAO;CHANG CHUN TENG;NIU SHE TOUMU TONG;FENG XIANG JI SHENG;YU MI XU;AI YE;YU BAI FU;JIN YIN HUA;SHAN FAN GEN;WU TOU;FENG RU;BEI MEI E ZHANG QIU;YANG YI;NIU RU;BAI JIANG;CHANG CHUN HUA;

Role

TCM_name2

Source

TCMBank

Preferred

Name

Nelumbo nucifera Gaertn

Role

TCM_name2

Source

TCMBank

Preferred

Name

Humifuse Euphorbia;Chinese Ivy;Field Sowthistle;Fiveleaf Akebia;Flatshoot Mistletoe;Maize Style;Argy Wormwood Leaf;Giant Typhonium;Japanese Honeysuckle;Caudate Sweetleaf Root;Common Monkshood;Royal Jelly;Yellow Poplar;Goat Pancreas;Cow Milk;Whiteflower Patrinia;Madagascar Periwinkle;

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Nelumbo nucifera Gaertn

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(1/4) inverted exclamation markIC

Role

alias

Source

TCMBank

Preferred

Name

(1R)-Cyclohexane-1r,2c,3t,4c,5t,6t-hexaol

Role

alias

Source

TCMBank

Preferred

Name

(1R,2R,3R,4R,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexaol

Role

alias

Source

TCMBank

Preferred

Name

(1R,2R,3R,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol

Role

alias

Source

TCMBank

Preferred

Name

(1R,2R,3R,4S,5S,6R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL

Role

alias

Source

TCMBank

Preferred

Name

(1R,2R,3R,4S,5S,6s)-cyclohexane-1,2,3,4,5,6-hexaol

Role

alias

Source

TCMBank

Preferred

Name

(1R,2R,3S,4R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL

Role

alias

Source

TCMBank

Preferred

Name

(1R,2R,3S,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol

Role

alias

Source

TCMBank

Preferred

Name

(1R,2R,3S,4R,5r,6S)-cyclohexane-1,2,3,4,5,6-hexaol

Role

alias

Source

TCMBank

Preferred

Name

(1R,2R,3S,4S,5S,6R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL

Role

alias

Source

TCMBank

Preferred

Name

(1R,2R,3S,4S,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexaol

Role

alias

Source

TCMBank

Preferred

Name

(1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol

Role

alias

Source

TCMBank

Preferred

Name

(1R,2S,3S,4R,5S,6r)-cyclohexane-1,2,3,4,5,6-hexol

Role

alias

Source

TCMBank

Preferred

Name

(1S,2R,4R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL

Role

alias

Source

TCMBank

Preferred

Name

(1S,2R,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL

Role

alias

Source

TCMBank

Preferred

Name

(1S,2S,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL

Role

alias

Source

TCMBank

Preferred

Name

(1S,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL

Role

alias

Source

TCMBank

Preferred

Name

(1r,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol

Role

alias

Source

TCMBank

Preferred

Name

(1r,2R,3S,4r,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol

Role

alias

Source

TCMBank

Preferred

Name

(1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol

Role

alias

Source

TCMBank

Preferred

Name

(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol

Role

alias

Source

TCMBank

Preferred

Name

(1s,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol

Role

alias

Source

TCMBank

Preferred

Name

(1s,2s,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexol

Role

alias

Source

TCMBank

Preferred

Name

1,2,3,4,5,6-Cyclohexanehexaol

Role

alias

Source

TCMBank

Preferred

Name

1,2,3,4,5,6-Cyclohexanehexol

Role

alias

Source

TCMBank

Preferred

Name

1,2,3,4,5,6-Cyclohexanehexol, (cis,cis,cis,trans,cis,trans)- #

Role

alias

Source

TCMBank

Preferred

Name

1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE

Role

alias

Source

TCMBank

Preferred

Name

1,2,3,4,5,6-cyclohexanehexol, (1alpha,2alpha,3alpha,4beta,5alpha,6beta)

Role

alias

Source

TCMBank

Preferred

Name

1,2,3,4,5,6-cyclohexanhexol

Role

alias

Source

TCMBank

Preferred

Name

1,2,3,4,5,6/0-cyclohexanetetrol

Role

alias

Source

TCMBank

Preferred

Name

1,2,3,5-trans-4,6-Cyclohexanehexol, cis-

Role

alias

Source

TCMBank

Preferred

Name

1,2,3,5/4,6-Cyclohexanehexol

Role

alias

Source

TCMBank

Preferred

Name

1,2,4,5/3,6-cyclohexanehexol

Role

alias

Source

TCMBank

Preferred

Name

1,2,4/3,5,6-Cyclohexane-1,2,3,4,5,6-hexol

Role

alias

Source

TCMBank

Preferred

Name

1,2,4/3,5,6-Hexahydroxycyclohexane

Role

alias

Source

TCMBank

Preferred

Name

1,2,4/3,5,6-cyclohexanehexol

Role

alias

Source

TCMBank

Preferred

Name

1,3,4,5,6-Cyclohexanehexol

Role

alias

Source

TCMBank

Preferred

Name

1,3,5/2,4,6-Hexahydroxycyclohexane

Role

alias

Source

TCMBank

Preferred

Name

1,3,5/2,4,6-cyclohexanehexol

Role

alias

Source

TCMBank

Preferred

Name

1,3,5/4,6-Cyclohexanehexol

Role

alias

Source

TCMBank

Preferred

Name

1-L-chiro-Inositol

Role

alias

Source

TCMBank

Preferred

Name

12513-EP2277880A1

Role

alias

Source

TCMBank

Preferred

Name

12513-EP2277881A1

Role

alias

Source

TCMBank

Preferred

Name

12513-EP2292597A1

Role

alias

Source

TCMBank

Preferred

Name

12513-EP2292610A1

Role

alias

Source

TCMBank

Preferred

Name

12513-EP2298744A2

Role

alias

Source

TCMBank

Preferred

Name

12513-EP2298768A1

Role

alias

Source

TCMBank

Preferred

Name

12513-EP2305825A1

Role

alias

Source

TCMBank

Preferred

Name

12513-EP2316831A1

Role

alias

Source

TCMBank

Preferred

Name

12513-EP2374790A1

Role

alias

Source

TCMBank

Preferred

Name

13719-EP2269977A2

Role

alias

Source

TCMBank

Preferred

Name

13719-EP2280010A2

Role

alias

Source

TCMBank

Preferred

Name

13719-EP2289891A2

Role

alias

Source

TCMBank

Preferred

Name

13719-EP2295437A1

Role

alias

Source

TCMBank

Preferred

Name

13719-EP2298734A2

Role

alias

Source

TCMBank

Preferred

Name

13719-EP2298775A1

Role

alias

Source

TCMBank

Preferred

Name

13719-EP2308875A1

Role

alias

Source

TCMBank

Preferred

Name

13719-EP2311831A1

Role

alias

Source

TCMBank

Preferred

Name

13719-EP2316836A1

Role

alias

Source

TCMBank

Preferred

Name

173524-45-3

Role

alias

Source

TCMBank

Preferred

Name

19030-27-4

Role

alias

Source

TCMBank

Preferred

Name

1D-Chiro-inositol

Role

alias

Source

TCMBank

Preferred

Name

1D-myo-Inositol

Role

alias

Source

TCMBank

Preferred

Name

1D7A27BF-6060-4FA9-AC46-3BD18DBA406E

Role

alias

Source

TCMBank

Preferred

Name

1L-myo-Inositol

Role

alias

Source

TCMBank

Preferred

Name

1VS4X81277

Role

alias

Source

TCMBank

Preferred

Name

220128F1-89BF-442D-AD6D-E6D1EA7BA625

Role

alias

Source

TCMBank

Preferred

Name

2H3

Role

alias

Source

TCMBank

Preferred

Name

2os9

Role

alias

Source

TCMBank

Preferred

Name

36190-90-6

Role

alias

Source

TCMBank

Preferred

Name

3635-EP2275412A1

Role

alias

Source

TCMBank

Preferred

Name

3635-EP2280282A1

Role

alias

Source

TCMBank

Preferred

Name

3635-EP2289886A1

Role

alias

Source

TCMBank

Preferred

Name

3635-EP2292088A1

Role

alias

Source

TCMBank

Preferred

Name

3635-EP2295417A1

Role

alias

Source

TCMBank

Preferred

Name

3635-EP2295437A1

Role

alias

Source

TCMBank

Preferred

Name

3635-EP2298312A1

Role

alias

Source

TCMBank

Preferred

Name

3635-EP2298775A1

Role

alias

Source

TCMBank

Preferred

Name

3635-EP2305636A1

Role

alias

Source

TCMBank

Preferred

Name

3635-EP2305677A1

Role

alias

Source

TCMBank

Preferred

Name

3635-EP2305682A1

Role

alias

Source

TCMBank

Preferred

Name

3635-EP2308879A1

Role

alias

Source

TCMBank

Preferred

Name

38876-99-2

Role

alias

Source

TCMBank

Preferred

Name

40032-EP2298312A1

Role

alias

Source

TCMBank

Preferred

Name

40032-EP2311830A1

Role

alias

Source

TCMBank

Preferred

Name

41546-34-3

Role

alias

Source

TCMBank

Preferred

Name

4661D3JP8D

Role

alias

Source

TCMBank

Preferred

Name

488-54-0

Role

alias

Source

TCMBank

Preferred

Name

488-55-1

Role

alias

Source

TCMBank

Preferred

Name

488-58-4

Role

alias

Source

TCMBank

Preferred

Name

488-59-5

Role

alias

Source

TCMBank

Preferred

Name

4CH-024633

Role

alias

Source

TCMBank

Preferred

Name

4L6452S749

Role

alias

Source

TCMBank

Preferred

Name

4irx

Role

alias

Source

TCMBank

Preferred

Name

53319-35-0

Role

alias

Source

TCMBank

Preferred

Name

551-72-4

Role

alias

Source

TCMBank

Preferred

Name

576-63-6

Role

alias

Source

TCMBank

Preferred

Name

587A93P465

Role

alias

Source

TCMBank

Preferred

Name

63GQX5QW03

Role

alias

Source

TCMBank

Preferred

Name

643-10-7

Role

alias

Source

TCMBank

Preferred

Name

643-12-9

Role

alias

Source

TCMBank

Preferred

Name

643C129

Role

alias

Source

TCMBank

Preferred

Name

6643AB

Role

alias

Source

TCMBank

Preferred

Name

6917-35-7

Role

alias

Source

TCMBank

Preferred

Name

6R79WV4R10

Role

alias

Source

TCMBank

Preferred

Name

7B0CEF84-D9CE-4A88-AA7D-EC50C89387A5

Role

alias

Source

TCMBank

Preferred

Name

87-89-8

Role

alias

Source

HERB_v2

Preferred

Name

87-89-8

Role

alias

Source

TCMBank

Preferred

Name

87-89-8

Role

alias

Source

itcmdb_public

Preferred

Name

887751-76-0

Role

alias

Source

TCMBank

Preferred

Name

8LQ63P85IC

Role

alias

Source

TCMBank

Preferred

Name

9O6Y5O4P9W

Role

alias

Source

TCMBank

Preferred

Name

A834712

Role

alias

Source

TCMBank

Preferred

Name

A836375

Role

alias

Source

TCMBank

Preferred

Name

AB00051982_13

Role

alias

Source

TCMBank

Preferred

Name

AB0014290

Role

alias

Source

TCMBank

Preferred

Name

AC-11070

Role

alias

Source

TCMBank

Preferred

Name

AC1L1A9E

Role

alias

Source

TCMBank

Preferred

Name

AC1Q2AJJ

Role

alias

Source

TCMBank

Preferred

Name

ACon1_002457

Role

alias

Source

TCMBank

Preferred

Name

AI3-16111

Role

alias

Source

TCMBank

Preferred

Name

AJ-26654

Role

alias

Source

TCMBank

Preferred

Name

AK102790

Role

alias

Source

TCMBank

Preferred

Name

AK115152

Role

alias

Source

TCMBank

Preferred

Name

AK307315

Role

alias

Source

TCMBank

Preferred

Name

AK307406

Role

alias

Source

TCMBank

Preferred

Name

AK307531

Role

alias

Source

TCMBank

Preferred

Name

AK324051

Role

alias

Source

TCMBank

Preferred

Name

AK546883

Role

alias

Source

TCMBank

Preferred

Name

AKOS006240678

Role

alias

Source

TCMBank

Preferred

Name

AKOS006332036

Role

alias

Source

TCMBank

Preferred

Name

AKOS015895894

Role

alias

Source

TCMBank

Preferred

Name

AKOS015912905

Role

alias

Source

TCMBank

Preferred

Name

AKOS015912934

Role

alias

Source

TCMBank

Preferred

Name

AKOS015960429

Role

alias

Source

TCMBank

Preferred

Name

AKOS015960633

Role

alias

Source

TCMBank

Preferred

Name

AKOS015994742

Role

alias

Source

TCMBank

Preferred

Name

AKOS024318869

Role

alias

Source

TCMBank

Preferred

Name

AKOS027320475

Role

alias

Source

TCMBank

Preferred

Name

AKOS027327401

Role

alias

Source

TCMBank

Preferred

Name

AN-18118

Role

alias

Source

TCMBank

Preferred

Name

AN-23658

Role

alias

Source

TCMBank

Preferred

Name

AN-24133

Role

alias

Source

TCMBank

Preferred

Name

ANW-43204

Role

alias

Source

TCMBank

Preferred

Name

AS-10616

Role

alias

Source

TCMBank

Preferred

Name

AX8234329

Role

alias

Source

TCMBank

Preferred

Name

AZD 103

Role

alias

Source

TCMBank

Preferred

Name

Allo-inositol

Role

alias

Source

HERB_v2

Preferred

Name

Allo-inositol

Role

alias

Source

itcmdb_public

Preferred

Name

Ambap6917-35-7

Role

alias

Source

TCMBank

Preferred

Name

AmbotzGBB1246

Role

alias

Source

TCMBank

Preferred

Name

BG00909545

Role

alias

Source

TCMBank

Preferred

Name

BG00909558

Role

alias

Source

TCMBank

Preferred

Name

BG01505565

Role

alias

Source

TCMBank

Preferred

Name

BG01505566

Role

alias

Source

TCMBank

Preferred

Name

BG01505581

Role

alias

Source

TCMBank

Preferred

Name

BG01505582

Role

alias

Source

TCMBank

Preferred

Name

BG01505583

Role

alias

Source

TCMBank

Preferred

Name

BG01505593

Role

alias

Source

TCMBank

Preferred

Name

BSPBio_002606

Role

alias

Source

TCMBank

Preferred

Name

Bios I

Role

alias

Source

TCMBank

Preferred

Name

C00137

Role

alias

Source

TCMBank

Preferred

Name

C06151

Role

alias

Source

TCMBank

Preferred

Name

C06152

Role

alias

Source

TCMBank

Preferred

Name

C06153

Role

alias

Source

TCMBank

Preferred

Name

C19891

Role

alias

Source

TCMBank

Preferred

Name

CAS-87-89-8

Role

alias

Source

TCMBank

Preferred

Name

CBU

Role

alias

Source

TCMBank

Preferred

Name

CC-093

Role

alias

Source

TCMBank

Preferred

Name

CCG-36096

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 6745

Role

alias

Source

TCMBank

Preferred

Name

CDAISMWEOUEBRE-CDRYSYESSA-N

Role

alias

Source

TCMBank

Preferred

Name

CDAISMWEOUEBRE-GNIYUCBRSA-N

Role

alias

Source

TCMBank

Preferred

Name

CDAISMWEOUEBRE-GPIVLXJGSA-N

Role

alias

Source

TCMBank

Preferred

Name

CDAISMWEOUEBRE-LOLGQZEGSA-N

Role

alias

Source

TCMBank

Preferred

Name

CDAISMWEOUEBRE-NIPYSYMMSA-N

Role

alias

Source

TCMBank

Preferred

Name

CDAISMWEOUEBRE-OQYPVSDDSA-N

Role

alias

Source

TCMBank

Preferred

Name

CDAISMWEOUEBRE-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:10642

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:17268

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:22357

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:23311

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:23927

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:24848

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:25492

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:27372

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:27374

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:27987

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL1222251

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL122705

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL1231671

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL1950780

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL278373

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL468154

Role

alias

Source

TCMBank

Preferred

Name

CJ-05199

Role

alias

Source

TCMBank

Preferred

Name

CJ-23964

Role

alias

Source

TCMBank

Preferred

Name

CS-4782

Role

alias

Source

TCMBank

Preferred

Name

CTK1C5947

Role

alias

Source

TCMBank

Preferred

Name

CTK8B3795

Role

alias

Source

TCMBank

Preferred

Name

Certified Reference Material

Role

alias

Source

TCMBank

Preferred

Name

Chiro-inositol

Role

alias

Source

TCMBank

Preferred

Name

Cocositol

Role

alias

Source

TCMBank

Preferred

Name

Cyclohexane-1,2,3,4,5,6-hexaol

Role

alias

Source

TCMBank

Preferred

Name

Cyclohexanehexol

Role

alias

Source

TCMBank

Preferred

Name

Cyclohexitol

Role

alias

Source

TCMBank

Preferred

Name

D-(+)-chiro-Inositol

Role

alias

Source

TCMBank

Preferred

Name

D-(+)-chiro-Inositol, 95%

Role

alias

Source

TCMBank

Preferred

Name

D-chiro-Inositol

Role

alias

Source

itcmdb_public

Preferred

Name

D-chiro-Inositol

Role

alias

Source

HERB_v2

Preferred

Name

D-chiro-Inositol, >=98.0% (HPLC)

Role

alias

Source

TCMBank

Preferred

Name

D-myo-Inositol

Role

alias

Source

TCMBank

Preferred

Name

D-myo-Inositol, Cell Culture Grade

Role

alias

Source

TCMBank

Preferred

Name

D03SHD

Role

alias

Source

TCMBank

Preferred

Name

D07CPO

Role

alias

Source

TCMBank

Preferred

Name

D08079

Role

alias

Source

TCMBank

Preferred

Name

D08DXZ

Role

alias

Source

TCMBank

Preferred

Name

D0B1EY

Role

alias

Source

TCMBank

Preferred

Name

D0Y4UQ

Role

alias

Source

TCMBank

Preferred

Name

DB03106

Role

alias

Source

TCMBank

Preferred

Name

DB13178

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_CID_3146

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_GSID_23146

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_RID_76890

Role

alias

Source

TCMBank

Preferred

Name

Dambose

Role

alias

Source

TCMBank

Preferred

Name

EINECS 201-781-2

Role

alias

Source

TCMBank

Preferred

Name

EINECS 207-681-5

Role

alias

Source

TCMBank

Preferred

Name

EINECS 207-682-0

Role

alias

Source

TCMBank

Preferred

Name

EINECS 209-000-7

Role

alias

Source

TCMBank

Preferred

Name

EINECS 211-393-5

Role

alias

Source

TCMBank

Preferred

Name

EINECS 211-394-0

Role

alias

Source

TCMBank

Preferred

Name

EINECS 230-024-9

Role

alias

Source

TCMBank

Preferred

Name

ELND 005

Role

alias

Source

TCMBank

Preferred

Name

Epi-inositol, 98%

Role

alias

Source

TCMBank

Preferred

Name

Epitope ID:144993

Role

alias

Source

TCMBank

Preferred

Name

FCH1118762

Role

alias

Source

TCMBank

Preferred

Name

FT-0627237

Role

alias

Source

TCMBank

Preferred

Name

FT-0632208

Role

alias

Source

TCMBank

Preferred

Name

FT-0632209

Role

alias

Source

TCMBank

Preferred

Name

FT-0632730

Role

alias

Source

TCMBank

Preferred

Name

FT-0652045

Role

alias

Source

TCMBank

Preferred

Name

FT-0670357

Role

alias

Source

TCMBank

Preferred

Name

FT-0693444

Role

alias

Source

TCMBank

Preferred

Name

FT-0693614

Role

alias

Source

TCMBank

Preferred

Name

GTPL4495

Role

alias

Source

TCMBank

Preferred

Name

GTPL4645

Role

alias

Source

TCMBank

Preferred

Name

GTPL4648

Role

alias

Source

TCMBank

Preferred

Name

GTPL4649

Role

alias

Source

TCMBank

Preferred

Name

HMS2091N13

Role

alias

Source

TCMBank

Preferred

Name

HMS2230N03

Role

alias

Source

TCMBank

Preferred

Name

HMS2235H05

Role

alias

Source

TCMBank

Preferred

Name

HMS2235M23

Role

alias

Source

TCMBank

Preferred

Name

HMS3369B06

Role

alias

Source

TCMBank

Preferred

Name

HMS3369F20

Role

alias

Source

TCMBank

Preferred

Name

HMS3373E05

Role

alias

Source

TCMBank

Preferred

Name

HY-B1411

Role

alias

Source

TCMBank

Preferred

Name

Hexahydroxycyclohexane

Role

alias

Source

TCMBank

Preferred

Name

I-6500

Role

alias

Source

TCMBank

Preferred

Name

I0040

Role

alias

Source

TCMBank

Preferred

Name

I06-1350

Role

alias

Source

TCMBank

Preferred

Name

I0628

Role

alias

Source

TCMBank

Preferred

Name

I0629

Role

alias

Source

TCMBank

Preferred

Name

I0630

Role

alias

Source

TCMBank

Preferred

Name

I0631

Role

alias

Source

TCMBank

Preferred

Name

I0632

Role

alias

Source

TCMBank

Preferred

Name

I0633

Role

alias

Source

TCMBank

Preferred

Name

I14-101844

Role

alias

Source

TCMBank

Preferred

Name

I14-2742

Role

alias

Source

TCMBank

Preferred

Name

I14-47229

Role

alias

Source

TCMBank

Preferred

Name

I14-47230

Role

alias

Source

TCMBank

Preferred

Name

I14-47231

Role

alias

Source

TCMBank

Preferred

Name

I14-47232

Role

alias

Source

TCMBank

Preferred

Name

I14-60538

Role

alias

Source

TCMBank

Preferred

Name

INOSITOL (D)

Role

alias

Source

TCMBank

Preferred

Name

INOSITOL (L)

Role

alias

Source

TCMBank

Preferred

Name

INS

Role

alias

Source

TCMBank

Preferred

Name

Inosital

Role

alias

Source

TCMBank

Preferred

Name

Inosital (TN)

Role

alias

Source

TCMBank

Preferred

Name

Inosite

Role

alias

Source

TCMBank

Preferred

Name

Inositene

Role

alias

Source

TCMBank

Preferred

Name

Inositina

Role

alias

Source

TCMBank

Preferred

Name

Inositol

Role

alias

Source

TCMBank

Preferred

Name

Inositol (NF)

Role

alias

Source

TCMBank

Preferred

Name

Inositol (VAN)

Role

alias

Source

TCMBank

Preferred

Name

Inositol (VAN8C

Role

alias

Source

TCMBank

Preferred

Name

Inositol FCC

Role

alias

Source

TCMBank

Preferred

Name

Inositol NF 12

Role

alias

Source

TCMBank

Preferred

Name

Inositol [Nonspecific isomer]

Role

alias

Source

TCMBank

Preferred

Name

Inositol [USAN:NF]

Role

alias

Source

TCMBank

Preferred

Name

Inositol, Pharmaceutical Secondary Standard

Role

alias

Source

TCMBank

Preferred

Name

Inositol, United States Pharmacopeia (USP) Reference Standard

Role

alias

Source

TCMBank

Preferred

Name

Inositol, allo-

Role

alias

Source

TCMBank

Preferred

Name

Inositol, chiro-

Role

alias

Source

TCMBank

Preferred

Name

Inositol, cis-

Role

alias

Source

TCMBank

Preferred

Name

Inositol, epi-

Role

alias

Source

TCMBank

Preferred

Name

Inositol, i-

Role

alias

Source

TCMBank

Preferred

Name

Inositol, meso-

Role

alias

Source

TCMBank

Preferred

Name

Inositol, muco-

Role

alias

Source

TCMBank

Preferred

Name

Inositol, myo-

Role

alias

Source

TCMBank

Preferred

Name

Inositol, myo- (8CI)

Role

alias

Source

TCMBank

Preferred

Name

Inositol, neo-

Role

alias

Source

TCMBank

Preferred

Name

Inositol, scyllo-

Role

alias

Source

TCMBank

Preferred

Name

Inositol-c

Role

alias

Source

TCMBank

Preferred

Name

Insitolum

Role

alias

Source

TCMBank

Preferred

Name

Isoinositol

Role

alias

Source

TCMBank

Preferred

Name

J101.890F

Role

alias

Source

TCMBank

Preferred

Name

J101.891D

Role

alias

Source

TCMBank

Preferred

Name

K-9876

Role

alias

Source

TCMBank

Preferred

Name

K572

Role

alias

Source

TCMBank

Preferred

Name

KB-251247

Role

alias

Source

TCMBank

Preferred

Name

KB-296111

Role

alias

Source

TCMBank

Preferred

Name

KBio2_002075

Role

alias

Source

TCMBank

Preferred

Name

KBio2_004643

Role

alias

Source

TCMBank

Preferred

Name

KBio2_007211

Role

alias

Source

TCMBank

Preferred

Name

KBio3_001826

Role

alias

Source

TCMBank

Preferred

Name

KBioGR_001885

Role

alias

Source

TCMBank

Preferred

Name

KBioSS_002075

Role

alias

Source

TCMBank

Preferred

Name

KM0846

Role

alias

Source

TCMBank

Preferred

Name

KS-00000QA9

Role

alias

Source

TCMBank

Preferred

Name

KS-00001292

Role

alias

Source

TCMBank

Preferred

Name

KS-00001315

Role

alias

Source

TCMBank

Preferred

Name

KS-0000146H

Role

alias

Source

TCMBank

Preferred

Name

KS-000017FC

Role

alias

Source

TCMBank

Preferred

Name

KS-1284

Role

alias

Source

TCMBank

Preferred

Name

KS-1420

Role

alias

Source

TCMBank

Preferred

Name

KSC225S4P

Role

alias

Source

TCMBank

Preferred

Name

L-(-)-chiro-Inositol, 95%

Role

alias

Source

TCMBank

Preferred

Name

L-Inositol

Role

alias

Source

TCMBank

Preferred

Name

L-chiro-Inositol

Role

alias

Source

TCMBank

Preferred

Name

L-myo-Inositol

Role

alias

Source

TCMBank

Preferred

Name

LS-2350

Role

alias

Source

TCMBank

Preferred

Name

LT03328768

Role

alias

Source

TCMBank

Preferred

Name

Levoinositol

Role

alias

Source

TCMBank

Preferred

Name

M01914

Role

alias

Source

TCMBank

Preferred

Name

M94176HJ2F

Role

alias

Source

TCMBank

Preferred

Name

MCULE-2727773046

Role

alias

Source

TCMBank

Preferred

Name

MEGxp0_001817

Role

alias

Source

TCMBank

Preferred

Name

MFCD00003863

Role

alias

Source

TCMBank

Preferred

Name

MFCD00065455

Role

alias

Source

TCMBank

Preferred

Name

MFCD00077932

Role

alias

Source

TCMBank

Preferred

Name

MFCD00272608

Role

alias

Source

TCMBank

Preferred

Name

MFCD00799555

Role

alias

Source

TCMBank

Preferred

Name

MFCD00799556

Role

alias

Source

TCMBank

Preferred

Name

MFCD01321249

Role

alias

Source

TCMBank

Preferred

Name

MLS001332377

Role

alias

Source

TCMBank

Preferred

Name

MLS001332378

Role

alias

Source

TCMBank

Preferred

Name

MLS001335965

Role

alias

Source

TCMBank

Preferred

Name

MLS001335966

Role

alias

Source

TCMBank

Preferred

Name

MLS001335967

Role

alias

Source

TCMBank

Preferred

Name

MLS001335968

Role

alias

Source

TCMBank

Preferred

Name

Matezodambose

Role

alias

Source

TCMBank

Preferred

Name

Meat sugar

Role

alias

Source

TCMBank

Preferred

Name

Mesoinosit

Role

alias

Source

TCMBank

Preferred

Name

Mesoinosite

Role

alias

Source

TCMBank

Preferred

Name

Mesol

Role

alias

Source

TCMBank

Preferred

Name

Mesovit

Role

alias

Source

TCMBank

Preferred

Name

MolPort-001-742-552

Role

alias

Source

TCMBank

Preferred

Name

MolPort-001-785-905

Role

alias

Source

TCMBank

Preferred

Name

MolPort-003-719-862

Role

alias

Source

TCMBank

Preferred

Name

MolPort-003-848-190

Role

alias

Source

TCMBank

Preferred

Name

MolPort-003-933-930

Role

alias

Source

TCMBank

Preferred

Name

MolPort-006-111-433

Role

alias

Source

TCMBank

Preferred

Name

Mouse antialopecia factor

Role

alias

Source

TCMBank

Preferred

Name

Muco-Inositol

Role

alias

Source

HERB_v2

Preferred

Name

Muco-Inositol

Role

alias

Source

itcmdb_public

Preferred

Name

Muco-Inositol

Role

alias

Source

TCMBank

Preferred

Name

Muscle sugar

Role

alias

Source

TCMBank

Preferred

Name

Myo-inositol

Role

alias

Source

TCMBank

Preferred

Name

Myoinosite

Role

alias

Source

TCMBank

Preferred

Name

NCGC00159409-02

Role

alias

Source

TCMBank

Preferred

Name

NCGC00159409-03

Role

alias

Source

TCMBank

Preferred

Name

NCGC00159409-04

Role

alias

Source

TCMBank

Preferred

Name

NCGC00169828-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00178580-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00178580-03

Role

alias

Source

TCMBank

Preferred

Name

NCGC00255362-01

Role

alias

Source

TCMBank

Preferred

Name

NCI60_041778

Role

alias

Source

TCMBank

Preferred

Name

NCIOpen2_008191

Role

alias

Source

TCMBank

Preferred

Name

NP-010162

Role

alias

Source

TCMBank

Preferred

Name

NSC 8101

Role

alias

Source

TCMBank

Preferred

Name

NSC-103959

Role

alias

Source

TCMBank

Preferred

Name

NSC-127230

Role

alias

Source

TCMBank

Preferred

Name

NSC-404118

Role

alias

Source

TCMBank

Preferred

Name

NSC-45517

Role

alias

Source

TCMBank

Preferred

Name

NSC-55551

Role

alias

Source

TCMBank

Preferred

Name

NSC-55552

Role

alias

Source

TCMBank

Preferred

Name

NSC-55558

Role

alias

Source

TCMBank

Preferred

Name

NSC-757076

Role

alias

Source

TCMBank

Preferred

Name

NSC25142

Role

alias

Source

TCMBank

Preferred

Name

Neo-inositol

Role

alias

Source

TCMBank

Preferred

Name

Nucite

Role

alias

Source

TCMBank

Preferred

Name

Pharmakon1600-01500352

Role

alias

Source

TCMBank

Preferred

Name

Phaseomannite

Role

alias

Source

TCMBank

Preferred

Name

Phaseomannitol

Role

alias

Source

TCMBank

Preferred

Name

Q-201583

Role

alias

Source

TCMBank

Preferred

Name

Quercinitol

Role

alias

Source

TCMBank

Preferred

Name

R1Y9F3N15A

Role

alias

Source

TCMBank

Preferred

Name

RP24128

Role

alias

Source

TCMBank

Preferred

Name

Rat antispectacled eye factor

Role

alias

Source

TCMBank

Preferred

Name

SBI-0051369.P003

Role

alias

Source

TCMBank

Preferred

Name

SC-18136

Role

alias

Source

TCMBank

Preferred

Name

SC-91157

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL1055883

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL12371461

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL12377889

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL12411898

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL12711208

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL12735687

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL13058696

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL13114115

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL13114116

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL13114128

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL13207905

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL13580047

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL14542470

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL187278

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL187397

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL187796

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL188106

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL188237

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL4748543

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL491333

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL5831

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL5832

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL5969

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL6378921

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL6468882

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL6791918

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL959404

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL959405

Role

alias

Source

TCMBank

Preferred

Name

SMR000857145

Role

alias

Source

TCMBank

Preferred

Name

SMR000857319

Role

alias

Source

TCMBank

Preferred

Name

SMR000857320

Role

alias

Source

TCMBank

Preferred

Name

SR-05000001655

Role

alias

Source

TCMBank

Preferred

Name

SR-05000001655-1

Role

alias

Source

TCMBank

Preferred

Name

SR-05000001655-5

Role

alias

Source

TCMBank

Preferred

Name

ST24024704

Role

alias

Source

TCMBank

Preferred

Name

ST24049158

Role

alias

Source

TCMBank

Preferred

Name

ST50406013

Role

alias

Source

TCMBank

Preferred

Name

STL453612

Role

alias

Source

TCMBank

Preferred

Name

Scyllite

Role

alias

Source

TCMBank

Preferred

Name

Scyllite (for the structural isomer scyllo-Inositol)

Role

alias

Source

TCMBank

Preferred

Name

Scyllitol

Role

alias

Source

TCMBank

Preferred

Name

Scyllo-inositol

Role

alias

Source

HERB_v2

Preferred

Name

Scyllo-inositol

Role

alias

Source

TCMBank

Preferred

Name

Scyllo-inositol

Role

alias

Source

itcmdb_public

Preferred

Name

Spectrum3_001053

Role

alias

Source

TCMBank

Preferred

Name

Spectrum4_001193

Role

alias

Source

TCMBank

Preferred

Name

Spectrum5_000961

Role

alias

Source

TCMBank

Preferred

Name

Spectrum_001595

Role

alias

Source

TCMBank

Preferred

Name

TL8004550

Role

alias

Source

TCMBank

Preferred

Name

TL8004551

Role

alias

Source

TCMBank

Preferred

Name

TR-016439

Role

alias

Source

TCMBank

Preferred

Name

TR-017741

Role

alias

Source

TCMBank

Preferred

Name

TR-019452

Role

alias

Source

TCMBank

Preferred

Name

TR-022051

Role

alias

Source

TCMBank

Preferred

Name

TR-022053

Role

alias

Source

TCMBank

Preferred

Name

TRA-0204644

Role

alias

Source

TCMBank

Preferred

Name

TRA0065469

Role

alias

Source

TCMBank

Preferred

Name

Tox21_111642

Role

alias

Source

TCMBank

Preferred

Name

Tox21_111642_1

Role

alias

Source

TCMBank

Preferred

Name

Tox21_302035

Role

alias

Source

TCMBank

Preferred

Name

UNII-1VS4X81277

Role

alias

Source

TCMBank

Preferred

Name

UNII-4661D3JP8D

Role

alias

Source

TCMBank

Preferred

Name

UNII-4L6452S749

Role

alias

Source

TCMBank

Preferred

Name

UNII-587A93P465

Role

alias

Source

TCMBank

Preferred

Name

UNII-63GQX5QW03

Role

alias

Source

TCMBank

Preferred

Name

UNII-6R79WV4R10

Role

alias

Source

TCMBank

Preferred

Name

UNII-8LQ63P85IC

Role

alias

Source

TCMBank

Preferred

Name

UNII-9O6Y5O4P9W

Role

alias

Source

TCMBank

Preferred

Name

UNII-M94176HJ2F

Role

alias

Source

TCMBank

Preferred

Name

UNII-M94176HJ2F component CDAISMWEOUEBRE-LKPKBOIGSA-N

Role

alias

Source

TCMBank

Preferred

Name

UNII-M94176HJ2F component CDAISMWEOUEBRE-SHFUYGGZSA-N

Role

alias

Source

TCMBank

Preferred

Name

UNII-R1Y9F3N15A

Role

alias

Source

TCMBank

Preferred

Name

VC30505

Role

alias

Source

TCMBank

Preferred

Name

W-202861

Role

alias

Source

TCMBank

Preferred

Name

W-202862

Role

alias

Source

TCMBank

Preferred

Name

W-203081

Role

alias

Source

TCMBank

Preferred

Name

W-203168

Role

alias

Source

TCMBank

Preferred

Name

W-203392

Role

alias

Source

TCMBank

Preferred

Name

ZINC100018867

Role

alias

Source

TCMBank

Preferred

Name

ZINC100019018

Role

alias

Source

TCMBank

Preferred

Name

ZINC100024490

Role

alias

Source

TCMBank

Preferred

Name

ZINC100032893

Role

alias

Source

TCMBank

Preferred

Name

ZINC100035580

Role

alias

Source

TCMBank

Preferred

Name

ZINC100037751

Role

alias

Source

TCMBank

Preferred

Name

ZINC100055570

Role

alias

Source

TCMBank

Preferred

Name

ZINC100073149

Role

alias

Source

TCMBank

Preferred

Name

ZINC100513675

Role

alias

Source

TCMBank

Preferred

Name

ZINC101185827

Role

alias

Source

TCMBank

Preferred

Name

ZINC102201844

Role

alias

Source

TCMBank

Preferred

Name

ZINC103574430

Role

alias

Source

TCMBank

Preferred

Name

ZINC103574467

Role

alias

Source

TCMBank

Preferred

Name

ZINC103574475

Role

alias

Source

TCMBank

Preferred

Name

ZINC1530357

Role

alias

Source

TCMBank

Preferred

Name

ZINC250615063

Role

alias

Source

TCMBank

Preferred

Name

ZINC253837650

Role

alias

Source

TCMBank

Preferred

Name

ZINC306121118

Role

alias

Source

TCMBank

Preferred

Name

allo-Inositol, 97%

Role

alias

Source

TCMBank

Preferred

Name

alloinositol

Role

alias

Source

TCMBank

Preferred

Name

bmse000102

Role

alias

Source

TCMBank

Preferred

Name

bmse000103

Role

alias

Source

TCMBank

Preferred

Name

bmse000113

Role

alias

Source

TCMBank

Preferred

Name

bmse000901

Role

alias

Source

TCMBank

Preferred

Name

bmse000922

Role

alias

Source

TCMBank

Preferred

Name

cis-1,2,3,5-trans-4,6-Cyclohexanehexol

Role

alias

Source

TCMBank

Preferred

Name

cis-1,2,4-trans-3,5,6-Cyclohexanehexol

Role

alias

Source

TCMBank

Preferred

Name

cis-1,3,5-trans-4,6-Cyclohexanehexol

Role

alias

Source

TCMBank

Preferred

Name

cis-Inositol

Role

alias

Source

TCMBank

Preferred

Name

cis-Inositol, >=98.0% (TLC)

Role

alias

Source

TCMBank

Preferred

Name

cyclohexane-1,2,3,4,5,6-hexol

Role

alias

Source

TCMBank

Preferred

Name

cyclohexane-1R,2R,3S,4S,5R,6S-hexol

Role

alias

Source

TCMBank

Preferred

Name

epi-Cyclohexanehexol

Role

alias

Source

TCMBank

Preferred

Name

epi-Inositol

Role

alias

Source

itcmdb_public

Preferred

Name

epi-Inositol

Role

alias

Source

TCMBank

Preferred

Name

epi-Inositol

Role

alias

Source

HERB_v2

Preferred

Name

epi-Inositol, >=98.0% (HPLC)

Role

alias

Source

TCMBank

Preferred

Name

i-Inositol

Role

alias

Source

HERB_v2

Preferred

Name

i-Inositol

Role

alias

Source

itcmdb_public

Preferred

Name

i-inositol

Role

alias

Source

TCMBank

Preferred

Name

inositol

Role

alias

Source

HERB_v2

Preferred

Name

inositol

Role

alias

Source

itcmdb_public

Preferred

Name

inositol-b

Role

alias

Source

TCMBank

Preferred

Name

inositols

Role

alias

Source

TCMBank

Preferred

Name

meso-(1/4) inverted exclamation mark (1/4)

Role

alias

Source

TCMBank

Preferred

Name

meso-Inositol

Role

alias

Source

itcmdb_public

Preferred

Name

meso-Inositol

Role

alias

Source

HERB_v2

Preferred

Name

mesoinositol

Role

alias

Source

TCMBank

Preferred

Name

myo-Inositol, 98% 100g

Role

alias

Source

TCMBank

Preferred

Name

myo-Inositol, >=99%

Role

alias

Source

TCMBank

Preferred

Name

myo-Inositol, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture

Role

alias

Source

TCMBank

Preferred

Name

myo-Inositol, BioUltra, >=99.5% (HPLC)

Role

alias

Source

TCMBank

Preferred

Name

myo-Inositol, European Pharmacopoeia (EP) Reference Standard

Role

alias

Source

TCMBank

Preferred

Name

myo-Inositol, PharmaGrade, meets FCC testing specifications, Manufactured under appropriate controls for use as a raw material in pharma or biopharmaceutical production.

Role

alias

Source

TCMBank

Preferred

Name

myo-Inositol, SAJ special grade, >=99.0%

Role

alias

Source

TCMBank

Preferred

Name

myo-Inositol, Vetec(TM) reagent grade, 99%

Role

alias

Source

TCMBank

Preferred

Name

myo-Inositol, for microbiology, >=99.0%

Role

alias

Source

TCMBank

Preferred

Name

myo-Inositol, p.a., 98.0%

Role

alias

Source

TCMBank

Preferred

Name

myo-Inositol, purum, >=98.0% (HPLC)

Role

alias

Source

TCMBank

Preferred

Name

myo-inositol

Role

alias

Source

HERB_v2

Preferred

Name

myo-inositol

Role

alias

Source

itcmdb_public

Preferred

Name

s4530

Role

alias

Source

TCMBank

Preferred

Name

scyllo-Cyclohexanehexol

Role

alias

Source

TCMBank

Preferred

Name

scyllo-Inositol, >=98%

Role

alias

Source

TCMBank

Preferred

Name

scyllo-insitol

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

Myo-InositolD-Chiro-InositolInositol BInositol-bMyoinositol地锦草;常春藤;牛舌头;木通;枫香寄生;玉米须;艾叶;禹白附;金银花(忍冬);山矾根;乌头(川乌);蜂乳;北美鹅掌楸;羊胰;牛乳;败酱(白花败酱);长春花莲子DI JIN CAO;CHANG CHUN TENG;NIU SHE TOUMU TONG;FENG XIANG JI SHENG;YU MI XU;AI YE;YU BAI FU;JIN YIN HUA;SHAN FAN GEN;WU TOU;FENG RU;BEI MEI E ZHANG QIU;YANG YI;NIU RU;BAI JIANG;CHANG CHUN HUA;Nelumbo nucifera GaertnHumifuse Euphorbia;Chinese Ivy;Field Sowthistle;Fiveleaf Akebia;Flatshoot Mistletoe;Maize Style;Argy Wormwood Leaf;Giant Typhonium;Japanese Honeysuckle;Caudate Sweetleaf Root;Common Monkshood;Royal Jelly;Yellow Poplar;Goat Pancreas;Cow Milk;Whiteflower Patrinia;Madagascar Periwinkle;(1/4) inverted exclamation markIC(1R)-Cyclohexane-1r,2c,3t,4c,5t,6t-hexaol(1R,2R,3R,4R,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexaol(1R,2R,3R,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol(1R,2R,3R,4S,5S,6R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL(1R,2R,3R,4S,5S,6s)-cyclohexane-1,2,3,4,5,6-hexaol(1R,2R,3S,4R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL(1R,2R,3S,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol(1R,2R,3S,4R,5r,6S)-cyclohexane-1,2,3,4,5,6-hexaol(1R,2R,3S,4S,5S,6R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL(1R,2R,3S,4S,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexaol(1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol(1R,2S,3S,4R,5S,6r)-cyclohexane-1,2,3,4,5,6-hexol(1S,2R,4R)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL(1S,2R,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL(1S,2S,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL(1S,4S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL(1r,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol(1r,2R,3S,4r,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol(1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol(1s,2R,3R,4s,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol(1s,2s,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexol1,2,3,4,5,6-Cyclohexanehexaol1,2,3,4,5,6-Cyclohexanehexol1,2,3,4,5,6-Cyclohexanehexol, (cis,cis,cis,trans,cis,trans)- #1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE1,2,3,4,5,6-cyclohexanehexol, (1alpha,2alpha,3alpha,4beta,5alpha,6beta)1,2,3,4,5,6-cyclohexanhexol1,2,3,4,5,6/0-cyclohexanetetrol1,2,3,5-trans-4,6-Cyclohexanehexol, cis-1,2,3,5/4,6-Cyclohexanehexol1,2,4,5/3,6-cyclohexanehexol1,2,4/3,5,6-Cyclohexane-1,2,3,4,5,6-hexol1,2,4/3,5,6-Hexahydroxycyclohexane1,2,4/3,5,6-cyclohexanehexol1,3,4,5,6-Cyclohexanehexol1,3,5/2,4,6-Hexahydroxycyclohexane1,3,5/2,4,6-cyclohexanehexol1,3,5/4,6-Cyclohexanehexol1-L-chiro-Inositol12513-EP2277880A112513-EP2277881A112513-EP2292597A112513-EP2292610A112513-EP2298744A212513-EP2298768A112513-EP2305825A112513-EP2316831A112513-EP2374790A113719-EP2269977A213719-EP2280010A213719-EP2289891A213719-EP2295437A113719-EP2298734A213719-EP2298775A113719-EP2308875A113719-EP2311831A113719-EP2316836A1173524-45-319030-27-41D-Chiro-inositol1D-myo-Inositol1D7A27BF-6060-4FA9-AC46-3BD18DBA406E1L-myo-Inositol1VS4X81277220128F1-89BF-442D-AD6D-E6D1EA7BA6252H32os936190-90-63635-EP2275412A13635-EP2280282A13635-EP2289886A13635-EP2292088A13635-EP2295417A13635-EP2295437A13635-EP2298312A13635-EP2298775A13635-EP2305636A13635-EP2305677A13635-EP2305682A13635-EP2308879A138876-99-240032-EP2298312A140032-EP2311830A141546-34-34661D3JP8D488-54-0488-55-1488-58-4488-59-54CH-0246334L6452S7494irx53319-35-0551-72-4576-63-6587A93P46563GQX5QW03643-10-7643-12-9643C1296643AB6917-35-76R79WV4R107B0CEF84-D9CE-4A88-AA7D-EC50C89387A587-89-8887751-76-08LQ63P85IC9O6Y5O4P9WA834712A836375AB00051982_13AB0014290AC-11070AC1L1A9EAC1Q2AJJACon1_002457AI3-16111AJ-26654AK102790AK115152AK307315AK307406AK307531AK324051AK546883AKOS006240678AKOS006332036AKOS015895894AKOS015912905AKOS015912934AKOS015960429AKOS015960633AKOS015994742AKOS024318869AKOS027320475AKOS027327401AN-18118AN-23658AN-24133ANW-43204AS-10616AX8234329AZD 103Allo-inositolAmbap6917-35-7AmbotzGBB1246BG00909545BG00909558BG01505565BG01505566BG01505581BG01505582BG01505583BG01505593BSPBio_002606Bios IC00137C06151C06152C06153C19891CAS-87-89-8CBUCC-093CCG-36096CCRIS 6745CDAISMWEOUEBRE-CDRYSYESSA-NCDAISMWEOUEBRE-GNIYUCBRSA-NCDAISMWEOUEBRE-GPIVLXJGSA-NCDAISMWEOUEBRE-LOLGQZEGSA-NCDAISMWEOUEBRE-NIPYSYMMSA-NCDAISMWEOUEBRE-OQYPVSDDSA-NCDAISMWEOUEBRE-UHFFFAOYSA-NCHEBI:10642CHEBI:17268CHEBI:22357CHEBI:23311CHEBI:23927CHEBI:24848CHEBI:25492CHEBI:27372CHEBI:27374CHEBI:27987CHEMBL1222251CHEMBL122705CHEMBL1231671CHEMBL1950780CHEMBL278373CHEMBL468154CJ-05199CJ-23964CS-4782CTK1C5947CTK8B3795Certified Reference MaterialChiro-inositolCocositolCyclohexane-1,2,3,4,5,6-hexaolCyclohexanehexolCyclohexitolD-(+)-chiro-InositolD-(+)-chiro-Inositol, 95%D-chiro-Inositol, >=98.0% (HPLC)D-myo-InositolD-myo-Inositol, Cell Culture GradeD03SHDD07CPOD08079D08DXZD0B1EYD0Y4UQDB03106DB13178DSSTox_CID_3146DSSTox_GSID_23146DSSTox_RID_76890DamboseEINECS 201-781-2EINECS 207-681-5EINECS 207-682-0EINECS 209-000-7EINECS 211-393-5EINECS 211-394-0EINECS 230-024-9ELND 005Epi-inositol, 98%Epitope ID:144993FCH1118762FT-0627237FT-0632208FT-0632209FT-0632730FT-0652045FT-0670357FT-0693444FT-0693614GTPL4495GTPL4645GTPL4648GTPL4649HMS2091N13HMS2230N03HMS2235H05HMS2235M23HMS3369B06HMS3369F20HMS3373E05HY-B1411HexahydroxycyclohexaneI-6500I0040I06-1350I0628I0629I0630I0631I0632I0633I14-101844I14-2742I14-47229I14-47230I14-47231I14-47232I14-60538INOSITOL (D)INOSITOL (L)INSInositalInosital (TN)InositeInositeneInositinaInositol (NF)Inositol (VAN)Inositol (VAN8CInositol FCCInositol NF 12Inositol [Nonspecific isomer]Inositol [USAN:NF]Inositol, Pharmaceutical Secondary StandardInositol, United States Pharmacopeia (USP) Reference StandardInositol, allo-Inositol, chiro-Inositol, cis-Inositol, epi-Inositol, i-Inositol, meso-Inositol, muco-Inositol, myo-Inositol, myo- (8CI)Inositol, neo-Inositol, scyllo-Inositol-cInsitolumIsoinositolJ101.890FJ101.891DK-9876K572KB-251247KB-296111KBio2_002075KBio2_004643KBio2_007211KBio3_001826KBioGR_001885KBioSS_002075KM0846KS-00000QA9KS-00001292KS-00001315KS-0000146HKS-000017FCKS-1284KS-1420KSC225S4PL-(-)-chiro-Inositol, 95%L-InositolL-chiro-InositolL-myo-InositolLS-2350LT03328768LevoinositolM01914M94176HJ2FMCULE-2727773046MEGxp0_001817MFCD00003863MFCD00065455MFCD00077932MFCD00272608MFCD00799555MFCD00799556MFCD01321249MLS001332377MLS001332378MLS001335965MLS001335966MLS001335967MLS001335968MatezodamboseMeat sugarMesoinositMesoinositeMesolMesovitMolPort-001-742-552MolPort-001-785-905MolPort-003-719-862MolPort-003-848-190MolPort-003-933-930MolPort-006-111-433Mouse antialopecia factorMuco-InositolMuscle sugarMyoinositeNCGC00159409-02NCGC00159409-03NCGC00159409-04NCGC00169828-01NCGC00178580-01NCGC00178580-03NCGC00255362-01NCI60_041778NCIOpen2_008191NP-010162NSC 8101NSC-103959NSC-127230NSC-404118NSC-45517NSC-55551NSC-55552NSC-55558NSC-757076NSC25142Neo-inositolNucitePharmakon1600-01500352PhaseomannitePhaseomannitolQ-201583QuercinitolR1Y9F3N15ARP24128Rat antispectacled eye factorSBI-0051369.P003SC-18136SC-91157SCHEMBL1055883SCHEMBL12371461SCHEMBL12377889SCHEMBL12411898SCHEMBL12711208SCHEMBL12735687SCHEMBL13058696SCHEMBL13114115SCHEMBL13114116SCHEMBL13114128SCHEMBL13207905SCHEMBL13580047SCHEMBL14542470SCHEMBL187278SCHEMBL187397SCHEMBL187796SCHEMBL188106SCHEMBL188237SCHEMBL4748543SCHEMBL491333SCHEMBL5831SCHEMBL5832SCHEMBL5969SCHEMBL6378921SCHEMBL6468882SCHEMBL6791918SCHEMBL959404SCHEMBL959405SMR000857145SMR000857319SMR000857320SR-05000001655SR-05000001655-1SR-05000001655-5ST24024704ST24049158ST50406013STL453612ScylliteScyllite (for the structural isomer scyllo-Inositol)ScyllitolScyllo-inositolSpectrum3_001053Spectrum4_001193Spectrum5_000961Spectrum_001595TL8004550TL8004551TR-016439TR-017741TR-019452TR-022051TR-022053TRA-0204644TRA0065469Tox21_111642Tox21_111642_1Tox21_302035UNII-1VS4X81277UNII-4661D3JP8DUNII-4L6452S749UNII-587A93P465UNII-63GQX5QW03UNII-6R79WV4R10UNII-8LQ63P85ICUNII-9O6Y5O4P9WUNII-M94176HJ2FUNII-M94176HJ2F component CDAISMWEOUEBRE-LKPKBOIGSA-NUNII-M94176HJ2F component CDAISMWEOUEBRE-SHFUYGGZSA-NUNII-R1Y9F3N15AVC30505W-202861W-202862W-203081W-203168W-203392ZINC100018867ZINC100019018ZINC100024490ZINC100032893ZINC100035580ZINC100037751ZINC100055570ZINC100073149ZINC100513675ZINC101185827ZINC102201844ZINC103574430ZINC103574467ZINC103574475ZINC1530357ZINC250615063ZINC253837650ZINC306121118allo-Inositol, 97%alloinositolbmse000102bmse000103bmse000113bmse000901bmse000922cis-1,2,3,5-trans-4,6-Cyclohexanehexolcis-1,2,4-trans-3,5,6-Cyclohexanehexolcis-1,3,5-trans-4,6-Cyclohexanehexolcis-Inositolcis-Inositol, >=98.0% (TLC)cyclohexane-1,2,3,4,5,6-hexolcyclohexane-1R,2R,3S,4S,5R,6S-hexolepi-Cyclohexanehexolepi-Inositolepi-Inositol, >=98.0% (HPLC)i-Inositolinositolsmeso-(1/4) inverted exclamation mark (1/4)meso-Inositolmesoinositolmyo-Inositol, 98% 100gmyo-Inositol, >=99%myo-Inositol, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culturemyo-Inositol, BioUltra, >=99.5% (HPLC)myo-Inositol, European Pharmacopoeia (EP) Reference Standardmyo-Inositol, PharmaGrade, meets FCC testing specifications, Manufactured under appropriate controls for use as a raw material in pharma or biopharmaceutical production.myo-Inositol, SAJ special grade, >=99.0%myo-Inositol, Vetec(TM) reagent grade, 99%myo-Inositol, for microbiology, >=99.0%myo-Inositol, p.a., 98.0%myo-Inositol, purum, >=98.0% (HPLC)s4530scyllo-Cyclohexanehexolscyllo-Inositol, >=98%scyllo-insitol

Cross References

Trusted external identifiers retained for this final record.

Cas

6917-35-787-89-8

Hit

C0557

Herb

HBIN022829HBIN030188HBIN030191HBIN036059

Npass

NPC113212NPC134616

Tcmid

110801108111082232972329831315313163681837030381873880

Tcmsp

MOL000149MOL001690MOL003873MOL005076MOL005570

Sym Map

SMIT00019SMIT01697SMIT04064SMIT15949SMIT15950SMIT19269SMIT19270SMIT25549

Tcm Id

247692477024843577

Pub Chem

892

Tcmbank

TCMBANKIN003177TCMBANKIN031475TCMBANKIN033235TCMBANKIN052905TCMBANKIN058057

Etcm Ingredient

Inositol binositolmyoinositol

Itcmdb Generated

ITX-INGREDIENT-0A561FEAEFFFITX-INGREDIENT-34E830DF87C2ITX-INGREDIENT-462131BD34DBITX-INGREDIENT-6E08E87F7B41ITX-INGREDIENT-B6EDADC3F6D6ITX-INGREDIENT-BA9165F58B6DITX-INGREDIENT-C6F8353444A6ITX-INGREDIENT-F8E10A063B39

Attributes

Merged source attributes and domain-specific metadata.

2.60642

2.81041

Bic

0.27894

Cic

2.58496

Phi

2.66601

Sic

0.27894

Log D

-3.065

Sc 0

Sc 1

Sc 2

Type

Blood ingredientsOther ingredientsOther ingredients,Metabolic ingredients

Alog P

-3.065

Chi 0

9.4641

Chi 1

5.4641

Chi 2

5.1547

In Ch I

InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H

Mol Wt

180.156

Pmi X

76.758476.7587

Cas Id

87-89-8

Energy

1.85

Sc 3 C

Sc 3 P

Smiles

C1(C(C(C(C(C1O)O)O)O)O)OC1([H])(O[H])C([H])(O[H])C([H])(O[H])C([H])(O[H])C([H])(O[H])C1([H])O[H]O([H])C1([H])C([H])(C([H])(C([H])(C([H])(C1([H])O[H])O[H])O[H])O[H])O[H]O([H])C1([H])C([H])(O[H])C([H])(O[H])C([H])(O[H])C([H])(O[H])C1([H])O[H]

Zagreb

37 Flag

Chi 3 C

1.1547

Chi 3 P

4.97606

Chi V 0

6.14738

Chi V 1

3.54919

Chi V 2

2.94355

C Count

Kappa 1

10.0833

Kappa 2

3.39506

Kappa 3

1.5625

Mol Log P

-3.834599999999999

N Count

O Count

P Count

Sc 3 Ch

S Count

Version

v1,v2v2

Alog P Mr

35.775

Chi 3 Ch

Dipole X

00.000080.00016

Dipole Y

-0.000090

Dipole Z

-1e-0500.00008

Iac Mean

1.5

In Ch Ikey

CDAISMWEOUEBRE-UHFFFAOYSA-N

Is Chiral

Ob Score

17.98717.9874665817.98746718.85918.85949218.85949242

Suppress

Tcm Name

地锦草;常春藤;牛舌头;木通;枫香寄生;玉米须;艾叶;禹白附;金银花(忍冬);山矾根;乌头(川乌);蜂乳;北美鹅掌楸;羊胰;牛乳;败酱(白花败酱);长春花淫羊藿莲子

Chi V 3 C

0.51639

Chi V 3 P

2.09946

Es Sum D O

Es Sum T N

E Adj Equ

116.824

E Adj Mag

186.117

Hba Count

Hbd Count

Iac Total

Jurs Rasa

0.19124

Jurs Rncg

0.16666

Jurs Rncs

6.78592

Jurs Rpcg

0.16666

Jurs Rpcs

1.73093

Jurs Rpsa

0.80875

Jurs Sasa

308.154

Jurs Tasa

58.9324

Jurs Tpsa

249.222

Num Atoms

Num Bonds

Num Rings

Shadow Xy

46.208146.268946.4039

Shadow Xz

24.267324.815624.83

Shadow Yz

24.576724.618624.9173

Shadow Nu

2.191152.192432.20286

Tcm Name2

DI JIN CAO;CHANG CHUN TENG;NIU SHE TOUMU TONG;FENG XIANG JI SHENG;YU MI XU;AI YE;YU BAI FU;JIN YIN HUA;SHAN FAN GEN;WU TOU;FENG RU;BEI MEI E ZHANG QIU;YANG YI;NIU RU;BAI JIANG;CHANG CHUN HUA;Epimedium brevicornumNelumbo nucifera Gaertn

V Adj Equ

93.6032

V Adj Mag

110.039

Mol2 Path

/TCM_database/13.补虚药(60-62)/2.补阳药(22-23)/淫羊藿/Epimedium brevicornum/structure/inositol.mol2/TCM_database/14.收涩药(17-17)/3.固精缩尿止带药(6-6)/莲子/Nelumbo nucifera Gaertn/Structure/myo-inositol.mol2/TCM_database/2003_3d_all/4282.mol2

Reference

2, 6, 658, 660, 2535

Chi V 3 Ch

Dipole Mag

00.000140.00016

Es Sum Aa N

Es Sum Aa O

Es Sum D Nh

Es Sum Dd C

Es Sum Ds N

Es Sum S Oh

53.842

Es Sum Ss O

Es Sum T Ch

Es Sum Ts C

Kappa 1 Am

9.84503

Kappa 2 Am

3.24957

Kappa 3 Am

1.47812

Num Hdonors

Num Chains

Num Rings3

Num Rings4

Num Rings5

Num Rings6

Num Rings7

Num Rings8

Es Count D O

Es Count T N

Es Sum Aa Ch

Es Sum Aa Nh

Es Sum Aaa C

Es Sum Aas C

Es Sum Aas N

Es Sum D Ch2

Es Sum Dds N

Es Sum Ds Ch

Es Sum Dss C

Es Sum S Ch3

Es Sum S Nh2

Es Sum S Nh3

Es Sum Ss Nh

Es Sum Sss N

Jurs Dpsa 1

-190.29

Jurs Dpsa 3

103.104

Jurs Fnsa 1

0.80875

Jurs Fnsa 2

-1.88012

Jurs Fnsa 3

-0.31336

Jurs Fpsa 1

0.19124

Jurs Fpsa 2

0.12739

Jurs Fpsa 3

0.02123

Jurs Pnsa 1

249.222

Jurs Pnsa 2

-579.367

Jurs Pnsa 3

-96.5611

Jurs Ppsa 1

58.9324

Jurs Ppsa 3

6.54303

Jurs Wnsa 1

76.7988

Jurs Wnsa 2

-178.534

Jurs Wnsa 3

-29.7557

Jurs Wpsa 1

18.1603

Jurs Wpsa 3

2.01626

Num Pi Bonds

Tcm Name En

Epimedium HerbHumifuse Euphorbia;Chinese Ivy;Field Sowthistle;Fiveleaf Akebia;Flatshoot Mistletoe;Maize Style;Argy Wormwood Leaf;Giant Typhonium;Japanese Honeysuckle;Caudate Sweetleaf Root;Common Monkshood;Royal Jelly;Yellow Poplar;Goat Pancreas;Cow Milk;Whiteflower Patrinia;Madagascar Periwinkle;Nelumbo nucifera Gaertn

Level1 Name

13.补虚药(60-62)14.收涩药(17-17)

Level2 Name

2.补阳药(22-23)3.固精缩尿止带药(6-6)

Admet Psa 2 D

124.892

Es Count Aa N

Es Count Aa O

Es Count D Nh

Es Count Dd C

Es Count Ds N

Es Count S Oh

Es Count Ss O

Es Count T Ch

Es Count Ts C

Es Sum Ss Ch2

Es Sum Ss Nh2

Es Sum Sss Ch

-9.843

Es Sum Sss Nh

Es Sum Ssss C

Es Sum Ssss N

Nplus O Count

Num H Donors

Admet Alog P98

-3.065

Admet Ext Ppb

-8.18363

Drug Likeness

0.227

Es Count Aa Ch

Es Count Aa Nh

Es Count Aaa C

Es Count Aas C

Es Count Aas N

Es Count D Ch2

Es Count Dds N

Es Count Ds Ch

Es Count Dss C

Es Count S Ch3

Es Count S Nh2

Es Count S Nh3

Es Count Ss Nh

Es Count Sss N

Es Sum Sssss P

Num Hacceptors

Num Fragments

Num Hydrogens

Num Ring Bonds

Organic Count

Rad Of Gyration

1.58726

Shadow Xyfrac

0.652270.654480.66075

Shadow Xzfrac

0.739530.76341

Shadow Yzfrac

0.738630.759520.7619

Strain Energy

2.96

Es Count Ss Ch2

Es Count Ss Nh2

Es Count Sss Ch

Es Count Sss Nh

Es Count Ssss C

Es Count Ssss N

Molecular Mass

180.063

Molecular Sasa

304.398

Num Metal Atoms

Num Rings9 Plus

Shadow Xlength

8.123068.574718.57971

Shadow Ylength

8.25698.268668.62044

Shadow Zlength

3.913283.91332

Level1 Name En

astringent medicinaltonifying and replenishing medicinal

Level2 Name En

secure essence, reduce urination and check vaginal dischargeyang-tonifying medicinal

Admet Bbb Level

Isomeric Smiles

C1(C(C(C(C(C1O)O)O)O)O)O

Molecular Savol

264.951

Molecule Weight

180.18

Num Atom Classes

Num Bridge Bonds

Num H Acceptors

Num Repeat Units

Admet Ext Cyp2 D6

-3.62613

Admet Solubility

2.821

Canonical Smiles

C1(C(C(C(C(C1O)O)O)O)O)O

Herb Alias Names

myo-inositolScyllo-inositolepi-InositolMuco-InositolAllo-inositoli-Inositol87-89-8meso-InositolD-chiro-Inositol

Minimized Energy

-1.11

Molecular Weight

180.060

Molecular Volume

137.19

Molecular Weight

180.156180.16180.16 g/mol

Molecule Formula

C6H12O6

Num Macro Chains

Molecular Formula

C6H12O6

Molecular Formula

C6H12O6

Molecular Formula

C6H12O6

Num Rotatable Bonds

Num Aromatic Bonds

Num Aromatic Rings

Num Explicit Atoms

Num Explicit Bonds

Num Negative Atoms

Num Positive Atoms

Link Ingredient Id

4064.0

Num Macro Residues

Num Ring Assemblies

Num Rotatable Bonds

Molecular Polar Sasa

229.661

Num Bridge Head Atoms

Num Chain Assemblies

Num Meso Stereo Atoms

Molecular Solubility

0.343

Admet Ext Hepatotoxic

-3.39551

Admet Unknown Alog P98

Molecular Surface Area

170.14

Num Explicit Hydrogens

Num H Donors Lipinski

Num Pseudo Stereo Atoms

Admet Absorption Level

Admet Solubility Level

Admet Ext Ppb#Prediction

Num H Acceptors Lipinski

Molecular Polar Surface Area

121.38

Admet Ext Cyp2 D6#Prediction

Molecular Fractional Polar Sasa

0.754

Admet Ext Ppb Applicability#Md

11.9803

Fda Maximum Daily Dose (Fdamdd)

0.002

Admet Ext Hepatotoxic#Prediction

Admet Ext Cyp2 D6 Applicability#Md

13.5888

Admet Ext Ppb Applicability#Mdpvalue

0.098899

Molecular Fractional Polar Surface Area

0.713

Admet Ext Hepatotoxic Applicability#Md

6.86858

Admet Ext Cyp2 D6 Applicability#Mdpvalue

0.0000737.3e-05

Admet Ext Hepatotoxic Applicability#Mdpvalue

0.997522

Quantitative Estimate Of Drug Likeness（Qed）

0.227