IngredientID 20518

Glycyrrhetinic acid

C30H46O4

Relationship Network

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

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Trial: 3Experiment: 1Herb: 12Ingredient: 1Reference: 8Target: 12Links: 36

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 20518
Core Entity Id: 25988
Source Entity Count: 1
Preferred Name: Glycyrrhetinic acid
Name En
Pubchem Id: 10114
Smiles Canonical: C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C(=O)C([H])=C([C@]([H])(C([H])([H])[C@@](C([H])([H])[H])(C(=O)O[H])C([H])([H])C2([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C3([H])[H])[C@@]34C([H] )([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]
Molecular Formula: C30H46O4
Molecular Weight: 470.6940
Inchikey: MPDGHEJMBKOTSU-PMTKVOBESA-N
Inchi: InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21+,22+,23-,26-,27+,28+,29-,30-/m1/s1
Isomeric Smiles: C[C@]12CC[C@](CC1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O
Cas Id
Ob Score: 17.4100
Mol Logp: 6.4126
Num H Donors: 2
Num H Acceptors: 3
Num Rotatable Bonds: 1
Drug Likeness: 0.4640
Polar Surface Area: 75.0000
Molecular Volume: 357.0000
Alogp: 6.0000

Names

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

Name

18Alpha-Glycyrrhetinic Acid

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

18Beta-Glycyrrhetinic Acid

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Beta-Glycyrrhetinic Acid

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Enoxolone

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

18Alpha-Glycyrrhetinic Acid

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

18Beta-Glycyrrhetinic Acid

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

18alpha-Glycyrrhetinic acid

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

18alpha-glycyrrhetinic acid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

18alpha-glycyrrhetinic acid

Role

preferred

Source

TCMBank

Preferred

Yes

Name

18alpha-glycyrrhetinic acid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

18beta-glycyrrhetinic acid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

18beta-glycyrrhetinic acid

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

18beta-glycyrrhetinic acid

Role

preferred

Source

TCMBank

Preferred

Yes

Name

18beta-glycyrrhetinic acid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Beta-Glycyrrhetinic Acid

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Beta-glycyrrhetic acid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Beta-glycyrrhetic acid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Beta-glycyrrhetinic acid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Beta-glycyrrhetinic acid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Enoxolone

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Enoxolone

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Glycyrrhetinic Acid

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Glycyrrhetinic acid

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Glycyrrhetinic acid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Glycyrrhetinic acid

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Glycyrrhetinic acid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

beta-Glycyrrhetinic acid

Role

preferred

Source

TCMBank

Preferred

Yes

Name

云南甘草; 甘草; 胀果甘草; 黄甘草; 粗毛甘草; 光果甘草

Role

TCM_name

Source

TCMBank

Preferred

Name

YUN NAN GAN CAO; GAN CAO; ZHANG GUO GAN CAO; HUANG GAN CAO; CU MAO GAN CAO; GUANG GUO GAN CAO

Role

TCM_name2

Source

TCMBank

Preferred

Name

Yunnan Licorice; Ural Licorice; Inflated Licorice; Yellow Licorice; Hirsute Licorice; Licorice

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(2S,4AS,6AS,6BR,10S,12AS)-10-HYDROXY-2,4A,6A,6B,9,9,12A-HEPTAMETHYL-13-OXO-3,4,5,6,7,8,8A,10,11,12,12B,14B-DODECAHYDRO-1H-PICENE-2-CARBOXYLIC ACID

Role

alias

Source

TCMBank

Preferred

Name

(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

Role

alias

Source

SymMap_v2

Preferred

Name

(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

Role

alias

Source

SymMap_v2

Preferred

Name

(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

(2S,4aS,6aS,6bR,10S,12aS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid

Role

alias

Source

SymMap_v2

Preferred

Name

(3?)-3-Hydroxy-11-oxoolean-12-en-30-oic acid

Role

alias

Source

TCMBank

Preferred

Name

(3?)-3-Hydroxy-11-oxoolean-12-en-30-oic acid

Role

alias

Source

SymMap_v2

Preferred

Name

(3alpha,5xi,8alpha,9xi,17alpha,18xi)-3-hydroxy-11-oxoolean-12-en-29-oic acid

Role

alias

Source

TCMBank

Preferred

Name

(3alpha,5xi,8alpha,9xi,17alpha,18xi)-3-hydroxy-11-oxoolean-12-en-29-oic acid

Role

alias

Source

SymMap_v2

Preferred

Name

(3beta)-3-hydroxy-11-oxoolean-12-en-30-oic acid

Role

alias

Source

SymMap_v2

Preferred

Name

(3beta)-3-hydroxy-11-oxoolean-12-en-30-oic acid

Role

alias

Source

TCMBank

Preferred

Name

(3beta,18alpha,20beta)-3-Hydroxy-11-oxoolean-12-en-29-oic acid

Role

alias

Source

TCMBank

Preferred

Name

(3beta,20beta)-3-Hydroxy-11-oxo-olean-12-en-29-oic acid

Role

alias

Source

SymMap_v2

Preferred

Name

(3beta,20beta)-3-Hydroxy-11-oxo-olean-12-en-29-oic acid

Role

alias

Source

TCMBank

Preferred

Name

(3beta,5beta,14beta)-3-Hydroxy-11-Oxoolean-12-En-29-Oic Acid

Role

alias

Source

SymMap_v2

Preferred

Name

(3beta,5beta,14beta)-3-Hydroxy-11-Oxoolean-12-En-29-Oic Acid

Role

alias

Source

TCMBank

Preferred

Name

(5S,8S,15S,18S,1R,2R,10R,14R,20R)-18-hydroxy-1,2,5,8,15,19,19-heptamethyl-13-o xopentacyclo[12.8.0.0.0.0]docos-11-ene-8-carboxylic acid

Role

alias

Source

SymMap_v2

Preferred

Name

(5S,8S,15S,18S,1R,2R,10R,14R,20R)-18-hydroxy-1,2,5,8,15,19,19-heptamethyl-13-o xopentacyclo[12.8.0.0.0.0]docos-11-ene-8-carboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

107420-91-7

Role

alias

Source

SymMap_v2

Preferred

Name

107420-91-7

Role

alias

Source

TCMBank

Preferred

Name

130100-EP2269977A2

Role

alias

Source

SymMap_v2

Preferred

Name

130100-EP2269977A2

Role

alias

Source

TCMBank

Preferred

Name

130100-EP2295411A1

Role

alias

Source

SymMap_v2

Preferred

Name

130100-EP2295411A1

Role

alias

Source

TCMBank

Preferred

Name

1449-05-4

Role

alias

Source

SymMap_v2

Preferred

Name

1449-05-4

Role

alias

Source

TCMBank

Preferred

Name

1449-05-4

Role

alias

Source

itcmdb_public

Preferred

Name

1449-05-4

Role

alias

Source

HERB_v2

Preferred

Name

15301-63-0

Role

alias

Source

SymMap_v2

Preferred

Name

15301-63-0

Role

alias

Source

TCMBank

Preferred

Name

18 beta-Glycyrrhetintic Acid

Role

alias

Source

SymMap_v2

Preferred

Name

18 beta-Glycyrrhetintic Acid

Role

alias

Source

TCMBank

Preferred

Name

18-

Role

alias

Source

TCMBank

Preferred

Name

18-

Role

alias

Source

SymMap_v2

Preferred

Name

18-Isoglycyrrhetinic acid

Role

alias

Source

HERB_v2

Preferred

Name

18-Isoglycyrrhetinic acid

Role

alias

Source

itcmdb_public

Preferred

Name

18-alpha-Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-

Role

alias

Source

TCMBank

Preferred

Name

18-beta-Glycyrrhetic acid

Role

alias

Source

SymMap_v2

Preferred

Name

18-beta-Glycyrrhetinic acid

Role

alias

Source

SymMap_v2

Preferred

Name

18-beta-Glycyrrhetinic acid

Role

alias

Source

HERB_v2

Preferred

Name

18-beta-Glycyrrhetinic acid

Role

alias

Source

TCMBank

Preferred

Name

18-beta-Glycyrrhetinic acid

Role

alias

Source

itcmdb_public

Preferred

Name

18a-Glycyrrhetic acid

Role

alias

Source

itcmdb_public

Preferred

Name

18a-Glycyrrhetic acid

Role

alias

Source

HERB_v2

Preferred

Name

18a-glycyrrhetinic acid

Role

alias

Source

HERB_v2

Preferred

Name

18a-glycyrrhetinic acid

Role

alias

Source

itcmdb_public

Preferred

Name

18alpha-Glycyrrhetinic acid

Role

alias

Source

HERB_v2

Preferred

Name

18alpha-Glycyrrhetinic acid

Role

alias

Source

TCMBank

Preferred

Name

18alpha-Glycyrrhetinic acid

Role

alias

Source

itcmdb_public

Preferred

Name

18b-Glycyrrhetic acid

Role

alias

Source

TCMBank

Preferred

Name

18b-Glycyrrhetic acid

Role

alias

Source

SymMap_v2

Preferred

Name

18b-Glycyrrhetinic acid

Role

alias

Source

TCMBank

Preferred

Name

18b-Glycyrrhetinic acid

Role

alias

Source

HERB_v2

Preferred

Name

18b-Glycyrrhetinic acid

Role

alias

Source

itcmdb_public

Preferred

Name

18b-Glycyrrhtinic acid

Role

alias

Source

TCMBank

Preferred

Name

18beta-Glycyrrhetic acid

Role

alias

Source

TCMBank

Preferred

Name

18beta-Glycyrrhetinic acid, 97%

Role

alias

Source

SymMap_v2

Preferred

Name

18beta-Glycyrrhetinic acid, 97%

Role

alias

Source

TCMBank

Preferred

Name

18beta-Glycyrrhetinic acid, purum, >=97.0% (T)

Role

alias

Source

SymMap_v2

Preferred

Name

18beta-Glycyrrhetinic acid, purum, >=97.0% (T)

Role

alias

Source

TCMBank

Preferred

Name

202522-39-2

Role

alias

Source

SymMap_v2

Preferred

Name

202522-39-2

Role

alias

Source

TCMBank

Preferred

Name

299198-00-8

Role

alias

Source

SymMap_v2

Preferred

Name

299198-00-8

Role

alias

Source

TCMBank

Preferred

Name

Role

alias

Source

SymMap_v2

Preferred

Name

3-Glycyrrhetinic acid

Role

alias

Source

HERB_v2

Preferred

Name

3-Glycyrrhetinic acid

Role

alias

Source

SymMap_v2

Preferred

Name

3-Glycyrrhetinic acid

Role

alias

Source

TCMBank

Preferred

Name

3-Glycyrrhetinic acid

Role

alias

Source

itcmdb_public

Preferred

Name

3-beta-Hydroxy-11-oxo-18-alpha-olean-12-en-30-oic acid

Role

alias

Source

TCMBank

Preferred

Name

3-hydroxy-11-oxoolean-12-en-29-oate

Role

alias

Source

TCMBank

Preferred

Name

3-hydroxy-11-oxoolean-12-en-29-oic acid (ACD/Name 4.0)

Role

alias

Source

TCMBank

Preferred

Name

3?-Hydroxy-11-oxo-18?,20?-olean-12-en-29-oic acid

Role

alias

Source

TCMBank

Preferred

Name

3b-Hydroxy-11-oxoolean-12-en-30-oate

Role

alias

Source

TCMBank

Preferred

Name

3b-hydroxy-11-oxo-Olean-12-en-30-oic acid

Role

alias

Source

TCMBank

Preferred

Name

3beta-Hydroxy-11-oxo-18beta,20beta-olean-12-en-29-oic acid

Role

alias

Source

SymMap_v2

Preferred

Name

3beta-Hydroxy-11-oxo-18beta,20beta-olean-12-en-29-oic acid

Role

alias

Source

TCMBank

Preferred

Name

3beta-Hydroxy-11-oxoolean-12-en-30-oic acid

Role

alias

Source

SymMap_v2

Preferred

Name

3beta-Hydroxy-11-oxoolean-12-en-30-oic acid

Role

alias

Source

TCMBank

Preferred

Name

3beta-hydroxy-11-oxoolean-12-en-29-oic acid

Role

alias

Source

TCMBank

Preferred

Name

3beta-hydroxy-11-oxoolean-12-en-29-oic acid

Role

alias

Source

SymMap_v2

Preferred

Name

4-10-00-03775 (Beilstein Handbook Reference)

Role

alias

Source

SymMap_v2

Preferred

Name

4-10-00-03775 (Beilstein Handbook Reference)

Role

alias

Source

TCMBank

Preferred

Name

471-53-4

Role

alias

Source

itcmdb_public

Preferred

Name

471-53-4

Role

alias

Source

HERB_v2

Preferred

Name

471-53-4

Role

alias

Source

SymMap_v2

Preferred

Name

471-53-4

Role

alias

Source

TCMBank

Preferred

Name

471G534

Role

alias

Source

SymMap_v2

Preferred

Name

471G534

Role

alias

Source

TCMBank

Preferred

Name

50510_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

8055-71-8

Role

alias

Source

SymMap_v2

Preferred

Name

8055-71-8

Role

alias

Source

TCMBank

Preferred

Name

A-GLYCYRRHETINIC ACID

Role

alias

Source

SymMap_v2

Preferred

Name

A-Hydroxy-11-oxoolean-12-en-30-olic acid

Role

alias

Source

SymMap_v2

Preferred

Name

A-Hydroxy-11-oxoolean-12-en-30-olic acid

Role

alias

Source

TCMBank

Preferred

Name

A827163

Role

alias

Source

TCMBank

Preferred

Name

A827163

Role

alias

Source

SymMap_v2

Preferred

Name

AC-1925

Role

alias

Source

TCMBank

Preferred

Name

AC-1925

Role

alias

Source

SymMap_v2

Preferred

Name

AC-8906

Role

alias

Source

TCMBank

Preferred

Name

AC-8906

Role

alias

Source

SymMap_v2

Preferred

Name

AC1L1UIT

Role

alias

Source

TCMBank

Preferred

Name

AC1L1UIT

Role

alias

Source

SymMap_v2

Preferred

Name

AJ-72559

Role

alias

Source

SymMap_v2

Preferred

Name

AJ-72559

Role

alias

Source

TCMBank

Preferred

Name

AKOS015960428

Role

alias

Source

TCMBank

Preferred

Name

AKOS015960428

Role

alias

Source

SymMap_v2

Preferred

Name

AKOS016036757

Role

alias

Source

TCMBank

Preferred

Name

AKOS016036757

Role

alias

Source

SymMap_v2

Preferred

Name

AN-14462

Role

alias

Source

TCMBank

Preferred

Name

AN-14462

Role

alias

Source

SymMap_v2

Preferred

Name

API0002854

Role

alias

Source

SymMap_v2

Preferred

Name

API0002854

Role

alias

Source

TCMBank

Preferred

Name

Arthrodont

Role

alias

Source

TCMBank

Preferred

Name

Arthrodont

Role

alias

Source

SymMap_v2

Preferred

Name

BB_NC-0599

Role

alias

Source

TCMBank

Preferred

Name

BC201656

Role

alias

Source

SymMap_v2

Preferred

Name

BC201656

Role

alias

Source

TCMBank

Preferred

Name

BDBM50233538

Role

alias

Source

TCMBank

Preferred

Name

BDBM50233538

Role

alias

Source

SymMap_v2

Preferred

Name

BG00824432

Role

alias

Source

TCMBank

Preferred

Name

BG00824432

Role

alias

Source

SymMap_v2

Preferred

Name

BG01168029

Role

alias

Source

TCMBank

Preferred

Name

BG01168029

Role

alias

Source

SymMap_v2

Preferred

Name

BRN 2229654

Role

alias

Source

TCMBank

Preferred

Name

BRN 2229654

Role

alias

Source

SymMap_v2

Preferred

Name

BRN 2956366

Role

alias

Source

itcmdb_public

Preferred

Name

BRN 2956366

Role

alias

Source

TCMBank

Preferred

Name

BRN 2956366

Role

alias

Source

HERB_v2

Preferred

Name

BX-1

Role

alias

Source

TCMBank

Preferred

Name

Bio-0549

Role

alias

Source

SymMap_v2

Preferred

Name

Bio-0549

Role

alias

Source

TCMBank

Preferred

Name

Biosone

Role

alias

Source

itcmdb_public

Preferred

Name

Biosone

Role

alias

Source

HERB_v2

Preferred

Name

Biosone

Role

alias

Source

SymMap_v2

Preferred

Name

Biosone

Role

alias

Source

TCMBank

Preferred

Name

C02283

Role

alias

Source

TCMBank

Preferred

Name

C02283

Role

alias

Source

SymMap_v2

Preferred

Name

C30H46O4

Role

alias

Source

TCMBank

Preferred

Name

C30H46O4

Role

alias

Source

SymMap_v2

Preferred

Name

CAS-471-53-4

Role

alias

Source

SymMap_v2

Preferred

Name

CAS-471-53-4

Role

alias

Source

TCMBank

Preferred

Name

CBW

Role

alias

Source

TCMBank

Preferred

Name

CBW

Role

alias

Source

SymMap_v2

Preferred

Name

CCG-208506

Role

alias

Source

SymMap_v2

Preferred

Name

CCG-208506

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 3962

Role

alias

Source

SymMap_v2

Preferred

Name

CCRIS 3962

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 3963

Role

alias

Source

HERB_v2

Preferred

Name

CCRIS 3963

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 3963

Role

alias

Source

itcmdb_public

Preferred

Name

CG0020

Role

alias

Source

SymMap_v2

Preferred

Name

CG0020

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:30853

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:30853

Role

alias

Source

SymMap_v2

Preferred

Name

CHEMBL230006

Role

alias

Source

SymMap_v2

Preferred

Name

CHEMBL230006

Role

alias

Source

TCMBank

Preferred

Name

CS-W020624

Role

alias

Source

SymMap_v2

Preferred

Name

CS-W020624

Role

alias

Source

TCMBank

Preferred

Name

D00156

Role

alias

Source

SymMap_v2

Preferred

Name

D00156

Role

alias

Source

TCMBank

Preferred

Name

D08LGJ

Role

alias

Source

SymMap_v2

Preferred

Name

D08LGJ

Role

alias

Source

TCMBank

Preferred

Name

D0F6IV

Role

alias

Source

SymMap_v2

Preferred

Name

D0F6IV

Role

alias

Source

TCMBank

Preferred

Name

D0U8IF

Role

alias

Source

SymMap_v2

Preferred

Name

D0U8IF

Role

alias

Source

TCMBank

Preferred

Name

DB13089

Role

alias

Source

TCMBank

Preferred

Name

DB13089

Role

alias

Source

SymMap_v2

Preferred

Name

DSSTox_CID_669

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_CID_669

Role

alias

Source

SymMap_v2

Preferred

Name

DSSTox_GSID_20669

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_GSID_20669

Role

alias

Source

SymMap_v2

Preferred

Name

DSSTox_RID_75722

Role

alias

Source

SymMap_v2

Preferred

Name

DSSTox_RID_75722

Role

alias

Source

TCMBank

Preferred

Name

DTXSID9020669

Role

alias

Source

SymMap_v2

Preferred

Name

DTXSID9020669

Role

alias

Source

TCMBank

Preferred

Name

EINECS 207-444-6

Role

alias

Source

TCMBank

Preferred

Name

EINECS 207-444-6

Role

alias

Source

SymMap_v2

Preferred

Name

EINECS 215-907-9

Role

alias

Source

HERB_v2

Preferred

Name

EINECS 215-907-9

Role

alias

Source

TCMBank

Preferred

Name

EINECS 215-907-9

Role

alias

Source

itcmdb_public

Preferred

Name

Enoloxone

Role

alias

Source

TCMBank

Preferred

Name

Enoloxone

Role

alias

Source

SymMap_v2

Preferred

Name

Enoxolona

Role

alias

Source

SymMap_v2

Preferred

Name

Enoxolona

Role

alias

Source

TCMBank

Preferred

Name

Enoxolona [INN-Spanish]

Role

alias

Source

TCMBank

Preferred

Name

Enoxolona [INN-Spanish]

Role

alias

Source

SymMap_v2

Preferred

Name

Enoxolone

Role

alias

Source

TCMBank

Preferred

Name

Enoxolone (Glycyrrhetin)

Role

alias

Source

SymMap_v2

Preferred

Name

Enoxolone (Glycyrrhetin)

Role

alias

Source

TCMBank

Preferred

Name

Enoxolone (Glycyrrhetinic acid)

Role

alias

Source

SymMap_v2

Preferred

Name

Enoxolone (INN)

Role

alias

Source

SymMap_v2

Preferred

Name

Enoxolone (INN)

Role

alias

Source

TCMBank

Preferred

Name

Enoxolone [BAN:DCF:INN]

Role

alias

Source

TCMBank

Preferred

Name

Enoxolone [INN:BAN:DCF]

Role

alias

Source

TCMBank

Preferred

Name

Enoxolone [INN:BAN:DCF]

Role

alias

Source

SymMap_v2

Preferred

Name

Enoxolone, European Pharmacopoeia (EP) Reference Standard

Role

alias

Source

TCMBank

Preferred

Name

Enoxolone, European Pharmacopoeia (EP) Reference Standard

Role

alias

Source

SymMap_v2

Preferred

Name

Enoxolone, Glycyrrhetinic acid

Role

alias

Source

TCMBank

Preferred

Name

Enoxolone; 18beta-Glycyrrhetinic acid; 3?-Hydroxy-11-oxo-18?,20?-olean-12-en-29-oic acid

Role

alias

Source

SymMap_v2

Preferred

Name

Enoxolonum

Role

alias

Source

SymMap_v2

Preferred

Name

Enoxolonum

Role

alias

Source

TCMBank

Preferred

Name

Enoxolonum [INN-Latin]

Role

alias

Source

SymMap_v2

Preferred

Name

Enoxolonum [INN-Latin]

Role

alias

Source

TCMBank

Preferred

Name

FT-0082445

Role

alias

Source

TCMBank

Preferred

Name

FT-0082445

Role

alias

Source

SymMap_v2

Preferred

Name

G0149

Role

alias

Source

SymMap_v2

Preferred

Name

G0149

Role

alias

Source

TCMBank

Preferred

Name

G10105_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

GLYCYRRHETINIC ACID

Role

alias

Source

HERB_v2

Preferred

Name

GLYCYRRHETINIC ACID

Role

alias

Source

itcmdb_public

Preferred

Name

GLYCYRRHETINIC ACID

Role

alias

Source

TCMBank

Preferred

Name

GLYCYRRHETINIC ACID

Role

alias

Source

SymMap_v2

Preferred

Name

GM-1658

Role

alias

Source

SymMap_v2

Preferred

Name

GM-1658

Role

alias

Source

TCMBank

Preferred

Name

Glyciram

Role

alias

Source

TCMBank

Preferred

Name

Glyciram

Role

alias

Source

SymMap_v2

Preferred

Name

Glycyrrhetic acid

Role

alias

Source

TCMBank

Preferred

Name

Glycyrrhetic acid

Role

alias

Source

HERB_v2

Preferred

Name

Glycyrrhetic acid

Role

alias

Source

SymMap_v2

Preferred

Name

Glycyrrhetic acid

Role

alias

Source

itcmdb_public

Preferred

Name

Glycyrrhetin

Role

alias

Source

TCMBank

Preferred

Name

Glycyrrhetin

Role

alias

Source

itcmdb_public

Preferred

Name

Glycyrrhetin

Role

alias

Source

HERB_v2

Preferred

Name

Glycyrrhetin

Role

alias

Source

SymMap_v2

Preferred

Name

Glycyrrhetinate

Role

alias

Source

SymMap_v2

Preferred

Name

Glycyrrhetinate

Role

alias

Source

TCMBank

Preferred

Name

Glycyrrhetinic

Role

alias

Source

TCMBank

Preferred

Name

Glycyrrhetinic

Role

alias

Source

HERB_v2

Preferred

Name

Glycyrrhetinic

Role

alias

Source

itcmdb_public

Preferred

Name

Glycyrrhetinic acid (JAN)

Role

alias

Source

TCMBank

Preferred

Name

Glycyrrhetinic acid (JAN)

Role

alias

Source

SymMap_v2

Preferred

Name

HMS2233P23

Role

alias

Source

SymMap_v2

Preferred

Name

HMS2233P23

Role

alias

Source

TCMBank

Preferred

Name

HY-N0180

Role

alias

Source

SymMap_v2

Preferred

Name

HY-N0180

Role

alias

Source

TCMBank

Preferred

Name

Hidermart

Role

alias

Source

TCMBank

Preferred

Name

Hidermart (TN)

Role

alias

Source

SymMap_v2

Preferred

Name

Hidermart (TN)

Role

alias

Source

TCMBank

Preferred

Name

J-008025

Role

alias

Source

SymMap_v2

Preferred

Name

J-008025

Role

alias

Source

TCMBank

Preferred

Name

Jintan

Role

alias

Source

SymMap_v2

Preferred

Name

Jintan

Role

alias

Source

TCMBank

Preferred

Name

KS-1262

Role

alias

Source

TCMBank

Preferred

Name

KS-1262

Role

alias

Source

SymMap_v2

Preferred

Name

LMPR0106150014

Role

alias

Source

TCMBank

Preferred

Name

LMPR0106150014

Role

alias

Source

SymMap_v2

Preferred

Name

LS-7417

Role

alias

Source

TCMBank

Preferred

Name

LS-7417

Role

alias

Source

SymMap_v2

Preferred

Name

LT00233150

Role

alias

Source

TCMBank

Preferred

Name

MCULE-4676598997

Role

alias

Source

TCMBank

Preferred

Name

MCULE-4676598997

Role

alias

Source

SymMap_v2

Preferred

Name

MFCD00003706

Role

alias

Source

TCMBank

Preferred

Name

MFCD00003706

Role

alias

Source

SymMap_v2

Preferred

Name

MLS000028748

Role

alias

Source

SymMap_v2

Preferred

Name

MLS000028748

Role

alias

Source

TCMBank

Preferred

Name

MLS001146949

Role

alias

Source

SymMap_v2

Preferred

Name

MLS001146949

Role

alias

Source

TCMBank

Preferred

Name

MLS002207101

Role

alias

Source

SymMap_v2

Preferred

Name

MLS002207101

Role

alias

Source

TCMBank

Preferred

Name

MolPort-002-507-130

Role

alias

Source

TCMBank

Preferred

Name

MolPort-002-507-130

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00017244-03

Role

alias

Source

TCMBank

Preferred

Name

NCGC00017244-03

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00017244-04

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00017244-04

Role

alias

Source

TCMBank

Preferred

Name

NCGC00142473-03

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00142473-03

Role

alias

Source

TCMBank

Preferred

Name

NCGC00181115-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00181115-01

Role

alias

Source

SymMap_v2

Preferred

Name

NCGC00186652-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00258353-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00258353-01

Role

alias

Source

SymMap_v2

Preferred

Name

NSC 35347

Role

alias

Source

SymMap_v2

Preferred

Name

NSC 35350

Role

alias

Source

itcmdb_public

Preferred

Name

NSC 35350

Role

alias

Source

HERB_v2

Preferred

Name

NSC-35347

Role

alias

Source

TCMBank

Preferred

Name

NSC-35350

Role

alias

Source

TCMBank

Preferred

Name

NSC-35350

Role

alias

Source

SymMap_v2

Preferred

Name

Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3beta,20beta)-

Role

alias

Source

TCMBank

Preferred

Name

Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3beta,20beta)-

Role

alias

Source

SymMap_v2

Preferred

Name

Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-

Role

alias

Source

SymMap_v2

Preferred

Name

Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-

Role

alias

Source

TCMBank

Preferred

Name

Olean-12-en-30-oic acid, 3beta-hydroxy-11-oxo- (8CI)

Role

alias

Source

SymMap_v2

Preferred

Name

Olean-12-en-30-oic acid, 3beta-hydroxy-11-oxo- (8CI)

Role

alias

Source

TCMBank

Preferred

Name

Opera_ID_1048

Role

alias

Source

SymMap_v2

Preferred

Name

Opera_ID_1048

Role

alias

Source

TCMBank

Preferred

Name

P540XA09DR

Role

alias

Source

SymMap_v2

Preferred

Name

P540XA09DR

Role

alias

Source

TCMBank

Preferred

Name

Q-201057

Role

alias

Source

TCMBank

Preferred

Name

Q-201057

Role

alias

Source

SymMap_v2

Preferred

Name

Rhetinic Acid

Role

alias

Source

HERB_v2

Preferred

Name

Rhetinic Acid

Role

alias

Source

SymMap_v2

Preferred

Name

Rhetinic Acid

Role

alias

Source

TCMBank

Preferred

Name

Rhetinic Acid

Role

alias

Source

itcmdb_public

Preferred

Name

S00283

Role

alias

Source

TCMBank

Preferred

Name

S00284

Role

alias

Source

TCMBank

Preferred

Name

S00284

Role

alias

Source

SymMap_v2

Preferred

Name

SBB006496

Role

alias

Source

SymMap_v2

Preferred

Name

SBB006496

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL13144257

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL18540

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL18540

Role

alias

Source

SymMap_v2

Preferred

Name

SMP1_000143

Role

alias

Source

SymMap_v2

Preferred

Name

SMP1_000143

Role

alias

Source

TCMBank

Preferred

Name

SMR000058239

Role

alias

Source

SymMap_v2

Preferred

Name

SMR000058239

Role

alias

Source

TCMBank

Preferred

Name

SR-01000721867

Role

alias

Source

SymMap_v2

Preferred

Name

SR-01000721867

Role

alias

Source

TCMBank

Preferred

Name

SR-01000721867-3

Role

alias

Source

TCMBank

Preferred

Name

SR-01000721867-3

Role

alias

Source

SymMap_v2

Preferred

Name

SR-01000721867-4

Role

alias

Source

TCMBank

Preferred

Name

SR-01000721867-4

Role

alias

Source

SymMap_v2

Preferred

Name

SR-01000721867-5

Role

alias

Source

SymMap_v2

Preferred

Name

SR-01000721867-5

Role

alias

Source

TCMBank

Preferred

Name

SR-01000721867-6

Role

alias

Source

SymMap_v2

Preferred

Name

SR-01000721867-6

Role

alias

Source

TCMBank

Preferred

Name

ST056310

Role

alias

Source

SymMap_v2

Preferred

Name

ST056310

Role

alias

Source

TCMBank

Preferred

Name

ST24038257

Role

alias

Source

SymMap_v2

Preferred

Name

ST24038257

Role

alias

Source

TCMBank

Preferred

Name

STX-352

Role

alias

Source

SymMap_v2

Preferred

Name

STX-352

Role

alias

Source

TCMBank

Preferred

Name

Tox21_110804

Role

alias

Source

SymMap_v2

Preferred

Name

Tox21_110804

Role

alias

Source

TCMBank

Preferred

Name

Tox21_112726

Role

alias

Source

SymMap_v2

Preferred

Name

Tox21_112726

Role

alias

Source

TCMBank

Preferred

Name

Tox21_200799

Role

alias

Source

SymMap_v2

Preferred

Name

Tox21_200799

Role

alias

Source

TCMBank

Preferred

Name

UNII-P540XA09DR

Role

alias

Source

SymMap_v2

Preferred

Name

UNII-P540XA09DR

Role

alias

Source

TCMBank

Preferred

Name

Uralenic acid

Role

alias

Source

itcmdb_public

Preferred

Name

Uralenic acid

Role

alias

Source

TCMBank

Preferred

Name

Uralenic acid

Role

alias

Source

SymMap_v2

Preferred

Name

Uralenic acid

Role

alias

Source

HERB_v2

Preferred

Name

ZINC19203131

Role

alias

Source

TCMBank

Preferred

Name

ZINC19203131

Role

alias

Source

SymMap_v2

Preferred

Name

[(125)I] RB129

Role

alias

Source

SymMap_v2

Preferred

Name

[(125)I] RB129

Role

alias

Source

TCMBank

Preferred

Name

a-glycyrrhetinic acid

Role

alias

Source

itcmdb_public

Preferred

Name

a-glycyrrhetinic acid

Role

alias

Source

TCMBank

Preferred

Name

a-glycyrrhetinic acid

Role

alias

Source

HERB_v2

Preferred

Name

alpha-Glycyrrhetinic acid

Role

alias

Source

TCMBank

Preferred

Name

alpha-Glycyrrhetinic acid

Role

alias

Source

SymMap_v2

Preferred

Name

b-glycyrrhetic acid

Role

alias

Source

itcmdb_public

Preferred

Name

b-glycyrrhetic acid

Role

alias

Source

HERB_v2

Preferred

Name

b-glycyrrhetic acid

Role

alias

Source

TCMBank

Preferred

Name

beta-Glycyrrhetic acid

Role

alias

Source

TCMBank

Preferred

Name

beta-Glycyrrhetinic acid

Role

alias

Source

itcmdb_public

Preferred

Name

beta-Glycyrrhetinic acid

Role

alias

Source

HERB_v2

Preferred

Name

enoxolone

Role

alias

Source

SymMap_v2

Preferred

Name

enoxolone

Role

alias

Source

HERB_v2

Preferred

Name

enoxolone

Role

alias

Source

itcmdb_public

Preferred

Name

s2296

Role

alias

Source

TCMBank

Preferred

Name

s2296

Role

alias

Source

SymMap_v2

Preferred

Name

subglycyrrhelinic acid

Role

alias

Source

TCMBank

Preferred

Name

subglycyrrhelinic acid

Role

alias

Source

SymMap_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

18Alpha-Glycyrrhetinic Acid18Beta-Glycyrrhetinic AcidBeta-Glycyrrhetinic AcidEnoxoloneBeta-glycyrrhetic acid云南甘草; 甘草; 胀果甘草; 黄甘草; 粗毛甘草; 光果甘草YUN NAN GAN CAO; GAN CAO; ZHANG GUO GAN CAO; HUANG GAN CAO; CU MAO GAN CAO; GUANG GUO GAN CAOYunnan Licorice; Ural Licorice; Inflated Licorice; Yellow Licorice; Hirsute Licorice; Licorice(2S,4AS,6AS,6BR,10S,12AS)-10-HYDROXY-2,4A,6A,6B,9,9,12A-HEPTAMETHYL-13-OXO-3,4,5,6,7,8,8A,10,11,12,12B,14B-DODECAHYDRO-1H-PICENE-2-CARBOXYLIC ACID(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid(2S,4aS,6aS,6bR,10S,12aS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid(3?)-3-Hydroxy-11-oxoolean-12-en-30-oic acid(3alpha,5xi,8alpha,9xi,17alpha,18xi)-3-hydroxy-11-oxoolean-12-en-29-oic acid(3beta)-3-hydroxy-11-oxoolean-12-en-30-oic acid(3beta,18alpha,20beta)-3-Hydroxy-11-oxoolean-12-en-29-oic acid(3beta,20beta)-3-Hydroxy-11-oxo-olean-12-en-29-oic acid(3beta,5beta,14beta)-3-Hydroxy-11-Oxoolean-12-En-29-Oic Acid(5S,8S,15S,18S,1R,2R,10R,14R,20R)-18-hydroxy-1,2,5,8,15,19,19-heptamethyl-13-o xopentacyclo[12.8.0.0.0.0]docos-11-ene-8-carboxylic acid107420-91-7130100-EP2269977A2130100-EP2295411A11449-05-415301-63-018 beta-Glycyrrhetintic Acid18-18-Isoglycyrrhetinic acid18-alpha-Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-18-beta-Glycyrrhetic acid18-beta-Glycyrrhetinic acid18a-Glycyrrhetic acid18a-glycyrrhetinic acid18b-Glycyrrhetic acid18b-Glycyrrhetinic acid18b-Glycyrrhtinic acid18beta-Glycyrrhetic acid18beta-Glycyrrhetinic acid, 97%18beta-Glycyrrhetinic acid, purum, >=97.0% (T)202522-39-2299198-00-833-Glycyrrhetinic acid3-beta-Hydroxy-11-oxo-18-alpha-olean-12-en-30-oic acid3-hydroxy-11-oxoolean-12-en-29-oate3-hydroxy-11-oxoolean-12-en-29-oic acid (ACD/Name 4.0)3?-Hydroxy-11-oxo-18?,20?-olean-12-en-29-oic acid3b-Hydroxy-11-oxoolean-12-en-30-oate3b-hydroxy-11-oxo-Olean-12-en-30-oic acid3beta-Hydroxy-11-oxo-18beta,20beta-olean-12-en-29-oic acid3beta-Hydroxy-11-oxoolean-12-en-30-oic acid3beta-hydroxy-11-oxoolean-12-en-29-oic acid4-10-00-03775 (Beilstein Handbook Reference)471-53-4471G53450510_FLUKA8055-71-8A-GLYCYRRHETINIC ACIDA-Hydroxy-11-oxoolean-12-en-30-olic acidA827163AC-1925AC-8906AC1L1UITAJ-72559AKOS015960428AKOS016036757AN-14462API0002854ArthrodontBB_NC-0599BC201656BDBM50233538BG00824432BG01168029BRN 2229654BRN 2956366BX-1Bio-0549BiosoneC02283C30H46O4CAS-471-53-4CBWCCG-208506CCRIS 3962CCRIS 3963CG0020CHEBI:30853CHEMBL230006CS-W020624D00156D08LGJD0F6IVD0U8IFDB13089DSSTox_CID_669DSSTox_GSID_20669DSSTox_RID_75722DTXSID9020669EINECS 207-444-6EINECS 215-907-9EnoloxoneEnoxolonaEnoxolona [INN-Spanish]Enoxolone (Glycyrrhetin)Enoxolone (Glycyrrhetinic acid)Enoxolone (INN)Enoxolone [BAN:DCF:INN]Enoxolone [INN:BAN:DCF]Enoxolone, European Pharmacopoeia (EP) Reference StandardEnoxolone, Glycyrrhetinic acidEnoxolone; 18beta-Glycyrrhetinic acid; 3?-Hydroxy-11-oxo-18?,20?-olean-12-en-29-oic acidEnoxolonumEnoxolonum [INN-Latin]FT-0082445G0149G10105_ALDRICHGM-1658GlyciramGlycyrrhetic acidGlycyrrhetinGlycyrrhetinateGlycyrrhetinicGlycyrrhetinic acid (JAN)HMS2233P23HY-N0180HidermartHidermart (TN)J-008025JintanKS-1262LMPR0106150014LS-7417LT00233150MCULE-4676598997MFCD00003706MLS000028748MLS001146949MLS002207101MolPort-002-507-130NCGC00017244-03NCGC00017244-04NCGC00142473-03NCGC00181115-01NCGC00186652-01NCGC00258353-01NSC 35347NSC 35350NSC-35347NSC-35350Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3beta,20beta)-Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-Olean-12-en-30-oic acid, 3beta-hydroxy-11-oxo- (8CI)Opera_ID_1048P540XA09DRQ-201057Rhetinic AcidS00283S00284SBB006496SCHEMBL13144257SCHEMBL18540SMP1_000143SMR000058239SR-01000721867SR-01000721867-3SR-01000721867-4SR-01000721867-5SR-01000721867-6ST056310ST24038257STX-352Tox21_110804Tox21_112726Tox21_200799UNII-P540XA09DRUralenic acidZINC19203131[(125)I] RB129alpha-Glycyrrhetinic acidb-glycyrrhetic acids2296subglycyrrhelinic acid

Cross References

Trusted external identifiers retained for this final record.

Cas

1449-05-4471-53-4

Hit

C0044C1018

Herb

HBIN002087HBIN002095HBIN018135HBIN018136HBIN028184

Npass

NPC158030NPC233455NPC238009NPC93503

Tcmid

230922316623291400688840

Tcmsp

MOL004804MOL005002

Sym Map

SMIT00577SMIT01696SMIT02479SMIT06826SMIT18313SMIT23783

Tcm Id

122161221712218122191293312934129351293614909149103939

Pub Chem

1011412193680133568304162194511852633032306826583073398

Tcmbank

TCMBANKIN016912TCMBANKIN029162TCMBANKIN036867TCMBANKIN044084TCMBANKIN053112

Drug Bank

DB13089

Etcm Ingredient

18alpha-Glycyrrhetinic acid18beta-glycyrrhetinic acidEnoxoloneGlycyrrhetinic acid

Itcmdb Generated

ITX-INGREDIENT-17B2AD5D2FD6ITX-INGREDIENT-1C540B3249D5ITX-INGREDIENT-2372E74DDA32ITX-INGREDIENT-9360E4944107ITX-INGREDIENT-DABBB0F9E5A7ITX-INGREDIENT-F91939152B8D

Attributes

Merged source attributes and domain-specific metadata.

Type

Blood ingredients,Metabolic ingredientsBlood ingredients,Other ingredientsOther ingredients

Alog P

In Ch I

InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21+,22+,23-,26-,27+,28+,29-,30-/m1/s1InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19?,21?,22-,23?,26+,27-,28-,29+,30+/m0/s1

Mol Wt

470.6940000000003

Smiles

C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C(=O)C([H])=C([C@]([H])(C([H])([H])[C@@](C([H])([H])[H])(C(=O)O[H])C([H])([H])C2([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C3([H])[H])[C@@]34C([H] )([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C

37 Flag

C Count

Mol Log P

6.412600000000007

N Count

O Count

P Count

S Count

Version

v1,v2v2

In Ch Ikey

MPDGHEJMBKOTSU-PMTKVOBESA-NMPDGHEJMBKOTSU-WFJWTYAKSA-NMPDGHEJMBKOTSU-YKLVYJNSSA-N

Ob Score

17.4117.4104517.4104501522.0526122.0526101522.053

Suppress

Tcm Name

云南甘草; 甘草; 胀果甘草; 黄甘草; 粗毛甘草; 光果甘草

Tcm Name2

YUN NAN GAN CAO; GAN CAO; ZHANG GUO GAN CAO; HUANG GAN CAO; CU MAO GAN CAO; GUANG GUO GAN CAO

Mol2 Path

/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/甘草/Glycyrrhiza uralensis/structure/glycyrrhetinic acid.mol2/TCM_database/2.清热药(64-64)/1.清热泻火药(13-13)/夏枯草/structure/18alpha-glycyrrhetinic acid.mol2/TCM_database/2003_3d_all/3501.mol2

Reference

4, 15, 658, 5501

Num Hdonors

Tcm Name En

Yunnan Licorice; Ural Licorice; Inflated Licorice; Yellow Licorice; Hirsute Licorice; Licorice

Num H Donors

Drug Likeness

0.464

Num Hacceptors

Isomeric Smiles

C[C@]12CC[C@](CC1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)OC[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)OC[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O

Molecule Weight

470.14470.76

Num H Acceptors

Canonical Smiles

CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C

Herb Alias Names

1449-05-418a-Glycyrrhetic acidbeta-Glycyrrhetinic acidCCRIS 396318-Isoglycyrrhetinic acid18a-glycyrrhetinic acidEINECS 215-907-9NSC 35350BRN 2956366

Molecular Weight

470.340

Molecular Volume

357359

Molecular Weight

470.68470.7 g/mol

Molecule Formula

C30H46O4C30H46O4|C30H47O+4

Molecular Formula

C30H46O4

Molecular Formula

C30H46O4

Molecular Formula

C30H46O4

Num Rotatable Bonds

Link Ingredient Id

1696.0

Num Rotatable Bonds

Molecular Polar Surface Area

Fda Maximum Daily Dose (Fdamdd)

0.2430.923

Quantitative Estimate Of Drug Likeness（Qed）

0.4260.464