IngredientID 10329

Ecdysone

C27H44O6

Relationship Network

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

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Experiment: 3Herb: 12Ingredient: 1Reference: 2Target: 12Links: 29

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 10329
Core Entity Id: 14641
Source Entity Count: 1
Preferred Name: Ecdysone
Name En
Pubchem Id: 101778163
Smiles Canonical: CC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)C(CCC(C)(C)O)O
Molecular Formula: C27H44O6
Molecular Weight: 464.6430
Inchikey: NKDFYOWSKOHCCO-DXKJOWATSA-N
Inchi: InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1
Isomeric Smiles: C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)[C@@H](CCC(C)(C)O)O
Cas Id
Ob Score: 15.2788
Mol Logp: 1.8540
Num H Donors: 5
Num H Acceptors: 6
Num Rotatable Bonds: 5
Drug Likeness: 0.3530
Polar Surface Area: 138.0000
Molecular Volume: 348.0000
Alogp: 1.0000

Names

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

Name

Ecdysone

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Ecdysterone

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Alpha-ecdysone

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Alpha-ecdysone

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Commisterone

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Commisterone

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Commisterone

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ecdysone

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ecdysone

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ecdysone

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ecdysone

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ecdysteron

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ecdysteron

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ecdysteron

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ecdysterone

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ecdysterone

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Ecdysterone

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ecdysterone

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Paristerone

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Paristerone

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Rhapontisterone B

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Rhapontisterone b

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Rhapontisterone b

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

paristerone

Role

preferred

Source

TCMBank

Preferred

Yes

Name

rhapontisterone B

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Β-Ecdysterone

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

α-ecdysone

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

牛膝

Role

TCM_name

Source

TCMBank

Preferred

Name

白僵蚕;小叶贯众;欧洲蕨;螺厣草;水龙骨;大花剪秋罗;紫萁;原蚕蛾;小乌毛蕨;多足蕨

Role

TCM_name

Source

TCMBank

Preferred

Name

紫萁;桑叶;螺厣草;鸡毛松;紫杉;小叶贯众;麻牛膝;漏芦;罗汉松叶;白毛夏枯草;川牛膝;土牛膝;苍白秤钩风;牛膝;水龙骨;瓦韦;钝叶土牛膝;延龄草;

Role

TCM_name

Source

TCMBank

Preferred

Name

蚤休(七叶一枝花)

Role

TCM_name

Source

TCMBank

Preferred

Name

露水草

Role

TCM_name

Source

TCMBank

Preferred

Name

BAI JIANG CAN;XIAO YE GUAN ZHONG;OU ZHOU JUE;LUO YAN CAO;SHUI LONG GU;DA HUA JIAN QIU LUO;ZI QI;YUAN CAN E;XIAO WU MAO JUE;DUO ZU JUE

Role

TCM_name2

Source

TCMBank

Preferred

Name

LU SHUI CAO

Role

TCM_name2

Source

TCMBank

Preferred

Name

ZAO XIU

Role

TCM_name2

Source

TCMBank

Preferred

Name

ZI QI;SANG YE;LUO YAN CAO;JI MAO SONG;TAN LING CAO;ZI SHAN;XIAO YE GUAN ZHONG;MA NIU XI;LOU LU;LUO HAN SONG YE;BAI MAO XIA KU CAO;CHUAN NIU XI;TU NIU XI;CANG BAI CHENG GOU FENG;NIU XI;SHUI LONG GU;WA WEI;TU NIU XI;DUN YE TU NIU XI;YAN LING CAO;

Role

TCM_name2

Source

TCMBank

Preferred

Name

Achyranthes bidentata

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Common Cyanotis

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Japanese Osmunda Frond;White Mulberry Leaf;Littleleaf Lemmaphyyllum Herb;Imbricate Podocarpus;Japanese Yew;Matteuccia Frond;Capitate Cyathula;Uniflower Swisscentaury ;Longleaf Podocarpus Leaf;Decumbent BugIe;Mediinal Cyathula;Common Achyranthes;White Mulberry;Imbricate Podocarpus;Decumbent Bugle;Glaucesent Diploclisia;GIaucesent DipIocIisia ;Uniflower Swisscentaury;Twotooth Achyranthes;Japanese Polypody ;Thunberg’s Lepisorus;Japanese Yew ;Obtuseleaf Achyranthes;Littleleaf Lemmaphyyllum Herb;Japanese Polypody;Tschonosk Trillium;Japanese Osmunda Frond ;Longleaf Podocarpus Leaf ;Matteuccia Frond;Thunberg's Lepisorus;Twotooth Achyranthes

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Manyleaf Paris

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Silkworm Larva;Matteuccia Frond;Bracken;Littleleaf Lemmaphyyllum Herb;Japanese Polypody ;BriIIiant Campion;Japanese Osmunda Frond ;Silkworm King;Minus Hard-fern* ;Common Polypody

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(20r)-20-hydroxyecdysone

Role

alias

Source

HERB_v2

Preferred

Name

(20r)-20-hydroxyecdysone

Role

alias

Source

itcmdb_public

Preferred

Name

(22R)-2beta,3beta,14alpha,20,22,25-hexahydroxy-5beta-cholest-7-en-6-one

Role

alias

Source

SymMap_v2

Preferred

Name

(22R)-2beta,3beta,14alpha,20,22,25-hexahydroxy-5beta-cholest-7-en-6-one

Role

alias

Source

TCMBank

Preferred

Name

(2Beta,3beta,5beta)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one

Role

alias

Source

TCMBank

Preferred

Name

(2Beta,3beta,5beta)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one

Role

alias

Source

SymMap_v2

Preferred

Name

(2R,3S,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Role

alias

Source

HERB_v2

Preferred

Name

(2R,3S,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Role

alias

Source

itcmdb_public

Preferred

Name

(2S,3R,5R,9R,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3,6-tris(oxidanyl)heptan-2-yl]-2,3,14-tris(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Role

alias

Source

TCMBank

Preferred

Name

(2S,3R,5R,9R,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3,6-tris(oxidanyl)heptan-2-yl]-2,3,14-tris(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Role

alias

Source

SymMap_v2

Preferred

Name

(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]p

Role

alias

Source

SymMap_v2

Preferred

Name

(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]p

Role

alias

Source

TCMBank

Preferred

Name

(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one

Role

alias

Source

SymMap_v2

Preferred

Name

(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one

Role

alias

Source

TCMBank

Preferred

Name

(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Role

alias

Source

SymMap_v2

Preferred

Name

(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Role

alias

Source

TCMBank

Preferred

Name

(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Role

alias

Source

TCMBank

Preferred

Name

(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Role

alias

Source

SymMap_v2

Preferred

Name

(2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one

Role

alias

Source

TCMBank

Preferred

Name

(2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one

Role

alias

Source

SymMap_v2

Preferred

Name

(2beta,3beta,5beta,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one

Role

alias

Source

itcmdb_public

Preferred

Name

(2beta,3beta,5beta,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one

Role

alias

Source

HERB_v2

Preferred

Name

.beta-Ecdysterone

Role

alias

Source

TCMBank

Preferred

Name

137704-EP2374792A1

Role

alias

Source

TCMBank

Preferred

Name

137704-EP2374792A1

Role

alias

Source

SymMap_v2

Preferred

Name

Role

alias

Source

TCMBank

Preferred

Name

Role

alias

Source

SymMap_v2

Preferred

Name

2,3,14-Trihydroxy-10,13-dimethyl-17-(1,2,5-trihydroxy-1,5-dimethyl-hexyl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-6-one

Role

alias

Source

TCMBank

Preferred

Name

2,3,14-Trihydroxy-10,13-dimethyl-17-(1,2,5-trihydroxy-1,5-dimethyl-hexyl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-6-one

Role

alias

Source

SymMap_v2

Preferred

Name

20-E

Role

alias

Source

SymMap_v2

Preferred

Name

20-HYDROXYECDYSONE

Role

alias

Source

TCMBank

Preferred

Name

20-HYDROXYECDYSONE

Role

alias

Source

SymMap_v2

Preferred

Name

20-HYDROXYECDYSONE

Role

alias

Source

HERB_v2

Preferred

Name

20-HYDROXYECDYSONE

Role

alias

Source

itcmdb_public

Preferred

Name

20-Hydroxy-a-ecdysone

Role

alias

Source

TCMBank

Preferred

Name

20-Hydroxy-a-ecdysone

Role

alias

Source

SymMap_v2

Preferred

Name

20-Hydroxyecdyson

Role

alias

Source

SymMap_v2

Preferred

Name

20-Hydroxyecdyson

Role

alias

Source

TCMBank

Preferred

Name

20-Hydroxyecdysone, >=93% (HPLC), powder

Role

alias

Source

TCMBank

Preferred

Name

20-Hydroxyecdysone, >=93% (HPLC), powder

Role

alias

Source

SymMap_v2

Preferred

Name

20-Hydroxyecdysone;2

Role

alias

Source

SymMap_v2

Preferred

Name

20-OH ecdysone

Role

alias

Source

SymMap_v2

Preferred

Name

20-OH ecdysone

Role

alias

Source

TCMBank

Preferred

Name

20E

Role

alias

Source

TCMBank

Preferred

Name

289E747

Role

alias

Source

SymMap_v2

Preferred

Name

289E747

Role

alias

Source

TCMBank

Preferred

Name

2beta,3beta,14alpha,20,22R,25-hexahydroxy-5beta-cholest-7-en-6-one

Role

alias

Source

SymMap_v2

Preferred

Name

2beta,3beta,14alpha,20,22R,25-hexahydroxy-5beta-cholest-7-en-6-one

Role

alias

Source

TCMBank

Preferred

Name

2beta,3beta,14alpha,20beta,22,25-Hexahydroxy-7-cholesten-6-one

Role

alias

Source

SymMap_v2

Preferred

Name

2beta,3beta,14alpha,20beta,22,25-Hexahydroxy-7-cholesten-6-one

Role

alias

Source

TCMBank

Preferred

Name

3604-87-3

Role

alias

Source

itcmdb_public

Preferred

Name

3604-87-3

Role

alias

Source

HERB_v2

Preferred

Name

5289-74-7

Role

alias

Source

SymMap_v2

Preferred

Name

5289-74-7

Role

alias

Source

itcmdb_public

Preferred

Name

5289-74-7

Role

alias

Source

TCMBank

Preferred

Name

5289-74-7

Role

alias

Source

HERB_v2

Preferred

Name

698975-64-3

Role

alias

Source

HERB_v2

Preferred

Name

698975-64-3

Role

alias

Source

itcmdb_public

Preferred

Name

779A7KPL0Y

Role

alias

Source

TCMBank

Preferred

Name

779A7KPL0Y

Role

alias

Source

SymMap_v2

Preferred

Name

A,14

Role

alias

Source

TCMBank

Preferred

Name

A,14

Role

alias

Source

SymMap_v2

Preferred

Name

A,20

Role

alias

Source

SymMap_v2

Preferred

Name

A,20

Role

alias

Source

TCMBank

Preferred

Name

A,22,25-Hexahydroxy-7-cholesten-6-one

Role

alias

Source

SymMap_v2

Preferred

Name

A,22,25-Hexahydroxy-7-cholesten-6-one

Role

alias

Source

TCMBank

Preferred

Name

A,22,25-Hexahydroxy-7-cholesten-6-one;Ecdysterone;Insect moulting hormone;Polypodine A

Role

alias

Source

SymMap_v2

Preferred

Name

A,3

Role

alias

Source

TCMBank

Preferred

Name

A,3

Role

alias

Source

SymMap_v2

Preferred

Name

A829299

Role

alias

Source

SymMap_v2

Preferred

Name

A829299

Role

alias

Source

TCMBank

Preferred

Name

AB3000033

Role

alias

Source

SymMap_v2

Preferred

Name

AB3000033

Role

alias

Source

TCMBank

Preferred

Name

AC-19603

Role

alias

Source

SymMap_v2

Preferred

Name

AC-19603

Role

alias

Source

TCMBank

Preferred

Name

AC1NUSFS

Role

alias

Source

TCMBank

Preferred

Name

AC1NUSFS

Role

alias

Source

SymMap_v2

Preferred

Name

AIDS-013374

Role

alias

Source

TCMBank

Preferred

Name

AKOS004120029

Role

alias

Source

SymMap_v2

Preferred

Name

AKOS004120029

Role

alias

Source

TCMBank

Preferred

Name

BB_NC-1013

Role

alias

Source

SymMap_v2

Preferred

Name

BB_NC-1013

Role

alias

Source

TCMBank

Preferred

Name

BDBM50326777

Role

alias

Source

TCMBank

Preferred

Name

BDBM50326777

Role

alias

Source

SymMap_v2

Preferred

Name

BG00831842

Role

alias

Source

SymMap_v2

Preferred

Name

BG00831842

Role

alias

Source

TCMBank

Preferred

Name

BG01762865

Role

alias

Source

TCMBank

Preferred

Name

BG01762865

Role

alias

Source

SymMap_v2

Preferred

Name

BRN 2422986

Role

alias

Source

HERB_v2

Preferred

Name

BRN 2422986

Role

alias

Source

itcmdb_public

Preferred

Name

C27H44O7

Role

alias

Source

TCMBank

Preferred

Name

C27H44O7

Role

alias

Source

SymMap_v2

Preferred

Name

CCRIS 6931

Role

alias

Source

HERB_v2

Preferred

Name

CCRIS 6931

Role

alias

Source

itcmdb_public

Preferred

Name

CH0034

Role

alias

Source

SymMap_v2

Preferred

Name

CH0034

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:16587

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:16587

Role

alias

Source

SymMap_v2

Preferred

Name

CHEBI:16688

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:16688

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL1707235

Role

alias

Source

SymMap_v2

Preferred

Name

CHEMBL1707235

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL224128

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL224128

Role

alias

Source

SymMap_v2

Preferred

Name

CTK8E9736

Role

alias

Source

TCMBank

Preferred

Name

CTK8E9736

Role

alias

Source

SymMap_v2

Preferred

Name

Cholest-7-en-6-one, 2,3,14,20,22,25-hexahydroxy-, (2b,3b,5b,22R)-

Role

alias

Source

TCMBank

Preferred

Name

Cholest-7-en-6-one, 2,3,14,20,22,25-hexahydroxy-, (2b,3b,5b,22R)-

Role

alias

Source

SymMap_v2

Preferred

Name

Commisterone

Role

alias

Source

itcmdb_public

Preferred

Name

Commisterone

Role

alias

Source

SymMap_v2

Preferred

Name

Commisterone

Role

alias

Source

HERB_v2

Preferred

Name

Commisterone

Role

alias

Source

TCMBank

Preferred

Name

Crustecdyson

Role

alias

Source

HERB_v2

Preferred

Name

Crustecdyson

Role

alias

Source

itcmdb_public

Preferred

Name

Crustecdyson

Role

alias

Source

TCMBank

Preferred

Name

Crustecdyson

Role

alias

Source

SymMap_v2

Preferred

Name

Crustecdysone

Role

alias

Source

itcmdb_public

Preferred

Name

Crustecdysone

Role

alias

Source

HERB_v2

Preferred

Name

Crustecdysone

Role

alias

Source

SymMap_v2

Preferred

Name

Crustecdysone

Role

alias

Source

TCMBank

Preferred

Name

DTXSID5040388

Role

alias

Source

TCMBank

Preferred

Name

DTXSID5040388

Role

alias

Source

SymMap_v2

Preferred

Name

ECDYSONE

Role

alias

Source

itcmdb_public

Preferred

Name

ECDYSONE

Role

alias

Source

HERB_v2

Preferred

Name

EINECS 222-760-4

Role

alias

Source

HERB_v2

Preferred

Name

EINECS 222-760-4

Role

alias

Source

itcmdb_public

Preferred

Name

Ecdysteron

Role

alias

Source

itcmdb_public

Preferred

Name

Ecdysteron

Role

alias

Source

TCMBank

Preferred

Name

Ecdysteron

Role

alias

Source

SymMap_v2

Preferred

Name

Ecdysteron

Role

alias

Source

HERB_v2

Preferred

Name

Ecdysterone

Role

alias

Source

TCMBank

Preferred

Name

Ecdysterone

Role

alias

Source

HERB_v2

Preferred

Name

Ecdysterone

Role

alias

Source

SymMap_v2

Preferred

Name

Ecdysterone

Role

alias

Source

itcmdb_public

Preferred

Name

H5142_SIGMA

Role

alias

Source

TCMBank

Preferred

Name

HMS2225F24

Role

alias

Source

SymMap_v2

Preferred

Name

HMS2225F24

Role

alias

Source

TCMBank

Preferred

Name

HMS2230L09

Role

alias

Source

SymMap_v2

Preferred

Name

HMS2230L09

Role

alias

Source

TCMBank

Preferred

Name

Hydroxyecdysone

Role

alias

Source

TCMBank

Preferred

Name

Hydroxyecdysone

Role

alias

Source

SymMap_v2

Preferred

Name

Insect moulting hormone

Role

alias

Source

TCMBank

Preferred

Name

Insect moulting hormone

Role

alias

Source

SymMap_v2

Preferred

Name

Isoinokosterone

Role

alias

Source

SymMap_v2

Preferred

Name

Isoinokosterone

Role

alias

Source

itcmdb_public

Preferred

Name

Isoinokosterone

Role

alias

Source

TCMBank

Preferred

Name

Isoinokosterone

Role

alias

Source

HERB_v2

Preferred

Name

LMST01010209

Role

alias

Source

SymMap_v2

Preferred

Name

LMST01010209

Role

alias

Source

TCMBank

Preferred

Name

MCULE-9660893096

Role

alias

Source

SymMap_v2

Preferred

Name

MCULE-9660893096

Role

alias

Source

TCMBank

Preferred

Name

MFCD00036740

Role

alias

Source

TCMBank

Preferred

Name

MFCD00036740

Role

alias

Source

SymMap_v2

Preferred

Name

MLS001164644

Role

alias

Source

TCMBank

Preferred

Name

MLS001164644

Role

alias

Source

SymMap_v2

Preferred

Name

MLS002207226

Role

alias

Source

SymMap_v2

Preferred

Name

MLS002207226

Role

alias

Source

TCMBank

Preferred

Name

MLS002473159

Role

alias

Source

TCMBank

Preferred

Name

MLS002473159

Role

alias

Source

SymMap_v2

Preferred

Name

MolPort-002-507-287

Role

alias

Source

TCMBank

Preferred

Name

MolPort-002-507-287

Role

alias

Source

SymMap_v2

Preferred

Name

N1350

Role

alias

Source

SymMap_v2

Preferred

Name

N1350

Role

alias

Source

TCMBank

Preferred

Name

NKDFYOWSKOHCCO-YPVLXUMRSA-N

Role

alias

Source

TCMBank

Preferred

Name

NKDFYOWSKOHCCO-YPVLXUMRSA-N

Role

alias

Source

SymMap_v2

Preferred

Name

Polypodine A

Role

alias

Source

TCMBank

Preferred

Name

Polypodine A

Role

alias

Source

SymMap_v2

Preferred

Name

Q-201054

Role

alias

Source

SymMap_v2

Preferred

Name

Q-201054

Role

alias

Source

TCMBank

Preferred

Name

RH692X7B7B

Role

alias

Source

HERB_v2

Preferred

Name

RH692X7B7B

Role

alias

Source

itcmdb_public

Preferred

Name

SCHEMBL19213295

Role

alias

Source

SymMap_v2

Preferred

Name

SCHEMBL19213295

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL22086

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL22086

Role

alias

Source

SymMap_v2

Preferred

Name

SMR000539832

Role

alias

Source

SymMap_v2

Preferred

Name

SMR000539832

Role

alias

Source

TCMBank

Preferred

Name

SMR001397251

Role

alias

Source

SymMap_v2

Preferred

Name

SMR001397251

Role

alias

Source

TCMBank

Preferred

Name

ST5412041

Role

alias

Source

TCMBank

Preferred

Name

THE-7

Role

alias

Source

SymMap_v2

Preferred

Name

THE-7

Role

alias

Source

TCMBank

Preferred

Name

TR-018728

Role

alias

Source

TCMBank

Preferred

Name

TR-018728

Role

alias

Source

SymMap_v2

Preferred

Name

UNII-779A7KPL0Y

Role

alias

Source

TCMBank

Preferred

Name

UNII-779A7KPL0Y

Role

alias

Source

SymMap_v2

Preferred

Name

UNII-RH692X7B7B

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-RH692X7B7B

Role

alias

Source

HERB_v2

Preferred

Name

V0682

Role

alias

Source

SymMap_v2

Preferred

Name

V0682

Role

alias

Source

TCMBank

Preferred

Name

Viticosterone

Role

alias

Source

itcmdb_public

Preferred

Name

Viticosterone

Role

alias

Source

TCMBank

Preferred

Name

Viticosterone

Role

alias

Source

SymMap_v2

Preferred

Name

Viticosterone

Role

alias

Source

HERB_v2

Preferred

Name

ZINC04165898

Role

alias

Source

TCMBank

Preferred

Name

ZINC238809241

Role

alias

Source

SymMap_v2

Preferred

Name

ZINC238809241

Role

alias

Source

TCMBank

Preferred

Name

alpha-Ecdysone

Role

alias

Source

HERB_v2

Preferred

Name

alpha-Ecdysone

Role

alias

Source

itcmdb_public

Preferred

Name

b-Ecdysone

Role

alias

Source

TCMBank

Preferred

Name

b-Ecdysone

Role

alias

Source

SymMap_v2

Preferred

Name

beta-ECDYSTERONE

Role

alias

Source

SymMap_v2

Preferred

Name

beta-Ecdysone

Role

alias

Source

HERB_v2

Preferred

Name

beta-Ecdysone

Role

alias

Source

SymMap_v2

Preferred

Name

beta-Ecdysone

Role

alias

Source

TCMBank

Preferred

Name

beta-Ecdysone

Role

alias

Source

itcmdb_public

Preferred

Name

ecdysone

Role

alias

Source

TCMBank

Preferred

Name

henanthren-6-one

Role

alias

Source

TCMBank

Preferred

Name

henanthren-6-one

Role

alias

Source

SymMap_v2

Preferred

Name

s2417

Role

alias

Source

SymMap_v2

Preferred

Name

s2417

Role

alias

Source

TCMBank

Preferred

Name

8.活血化瘀药(33-33)

Role

level1_name

Source

TCMBank

Preferred

Name

blood-activating and stasis-resolving medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

2.活血调经药(11-11)

Role

level2_name

Source

TCMBank

Preferred

Name

blood-activating menstruationregulating medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

EcdysteroneAlpha-ecdysoneCommisteroneEcdysteronParisteroneRhapontisterone BΒ-Ecdysteroneα-ecdysone牛膝白僵蚕;小叶贯众;欧洲蕨;螺厣草;水龙骨;大花剪秋罗;紫萁;原蚕蛾;小乌毛蕨;多足蕨紫萁;桑叶;螺厣草;鸡毛松;紫杉;小叶贯众;麻牛膝;漏芦;罗汉松叶;白毛夏枯草;川牛膝;土牛膝;苍白秤钩风;牛膝;水龙骨;瓦韦;钝叶土牛膝;延龄草;蚤休(七叶一枝花)露水草BAI JIANG CAN;XIAO YE GUAN ZHONG;OU ZHOU JUE;LUO YAN CAO;SHUI LONG GU;DA HUA JIAN QIU LUO;ZI QI;YUAN CAN E;XIAO WU MAO JUE;DUO ZU JUELU SHUI CAOZAO XIUZI QI;SANG YE;LUO YAN CAO;JI MAO SONG;TAN LING CAO;ZI SHAN;XIAO YE GUAN ZHONG;MA NIU XI;LOU LU;LUO HAN SONG YE;BAI MAO XIA KU CAO;CHUAN NIU XI;TU NIU XI;CANG BAI CHENG GOU FENG;NIU XI;SHUI LONG GU;WA WEI;TU NIU XI;DUN YE TU NIU XI;YAN LING CAO;Achyranthes bidentataCommon CyanotisJapanese Osmunda Frond;White Mulberry Leaf;Littleleaf Lemmaphyyllum Herb;Imbricate Podocarpus;Japanese Yew;Matteuccia Frond;Capitate Cyathula;Uniflower Swisscentaury ;Longleaf Podocarpus Leaf;Decumbent BugIe;Mediinal Cyathula;Common Achyranthes;White Mulberry;Imbricate Podocarpus;Decumbent Bugle;Glaucesent Diploclisia;GIaucesent DipIocIisia ;Uniflower Swisscentaury;Twotooth Achyranthes;Japanese Polypody ;Thunberg’s Lepisorus;Japanese Yew ;Obtuseleaf Achyranthes;Littleleaf Lemmaphyyllum Herb;Japanese Polypody;Tschonosk Trillium;Japanese Osmunda Frond ;Longleaf Podocarpus Leaf ;Matteuccia Frond;Thunberg's Lepisorus;Twotooth AchyranthesManyleaf ParisSilkworm Larva;Matteuccia Frond;Bracken;Littleleaf Lemmaphyyllum Herb;Japanese Polypody ;BriIIiant Campion;Japanese Osmunda Frond ;Silkworm King;Minus Hard-fern* ;Common Polypody(20r)-20-hydroxyecdysone(22R)-2beta,3beta,14alpha,20,22,25-hexahydroxy-5beta-cholest-7-en-6-one(2Beta,3beta,5beta)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one(2R,3S,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one(2S,3R,5R,9R,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3,6-tris(oxidanyl)heptan-2-yl]-2,3,14-tris(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]p(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one(2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one(2beta,3beta,5beta,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-one.beta-Ecdysterone137704-EP2374792A122,3,14-Trihydroxy-10,13-dimethyl-17-(1,2,5-trihydroxy-1,5-dimethyl-hexyl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-6-one20-E20-HYDROXYECDYSONE20-Hydroxy-a-ecdysone20-Hydroxyecdyson20-Hydroxyecdysone, >=93% (HPLC), powder20-Hydroxyecdysone;220-OH ecdysone20E289E7472beta,3beta,14alpha,20,22R,25-hexahydroxy-5beta-cholest-7-en-6-one2beta,3beta,14alpha,20beta,22,25-Hexahydroxy-7-cholesten-6-one3604-87-35289-74-7698975-64-3779A7KPL0YA,14A,20A,22,25-Hexahydroxy-7-cholesten-6-oneA,22,25-Hexahydroxy-7-cholesten-6-one;Ecdysterone;Insect moulting hormone;Polypodine AA,3A829299AB3000033AC-19603AC1NUSFSAIDS-013374AKOS004120029BB_NC-1013BDBM50326777BG00831842BG01762865BRN 2422986C27H44O7CCRIS 6931CH0034CHEBI:16587CHEBI:16688CHEMBL1707235CHEMBL224128CTK8E9736Cholest-7-en-6-one, 2,3,14,20,22,25-hexahydroxy-, (2b,3b,5b,22R)-CrustecdysonCrustecdysoneDTXSID5040388EINECS 222-760-4H5142_SIGMAHMS2225F24HMS2230L09HydroxyecdysoneInsect moulting hormoneIsoinokosteroneLMST01010209MCULE-9660893096MFCD00036740MLS001164644MLS002207226MLS002473159MolPort-002-507-287N1350NKDFYOWSKOHCCO-YPVLXUMRSA-NPolypodine AQ-201054RH692X7B7BSCHEMBL19213295SCHEMBL22086SMR000539832SMR001397251ST5412041THE-7TR-018728UNII-779A7KPL0YUNII-RH692X7B7BV0682ViticosteroneZINC04165898ZINC238809241b-Ecdysonebeta-ECDYSTERONEbeta-Ecdysonehenanthren-6-ones24178.活血化瘀药(33-33)blood-activating and stasis-resolving medicinal2.活血调经药(11-11)blood-activating menstruationregulating medicinal

Cross References

Trusted external identifiers retained for this final record.

Cas

5289-74-7698975-64-3

Hit

C0037C0653

Herb

HBIN003391HBIN003410HBIN003518HBIN015501HBIN018090HBIN018091HBIN021308HBIN024784HBIN024785HBIN024786HBIN038867HBIN042188

Npass

NPC150531NPC260268NPC41345

Tcmid

1006016659344893643136753368063708039443999466776678

Tcmsp

MOL002212MOL008320MOL012534MOL012542

Sym Map

SMIT00145SMIT01390SMIT09627SMIT13280SMIT13286SMIT14739SMIT27601

Tcm Id

128031426314540145411536615367153681536915370153711537215373153741568818100199762247522476224772247847004701

Pub Chem

101778163110813471112367111870116112304165192122159011127160543977044143979545915154598407118526

Tcmbank

TCMBANKIN000063TCMBANKIN001359TCMBANKIN035047TCMBANKIN037143TCMBANKIN043821TCMBANKIN052123TCMBANKIN053771TCMBANKIN059300TCMBANKIN060104

Etcm Ingredient

CommisteroneEcdysoneEcdysteronerhapontisterone Bα-ecdysoneβ-ecdysoneβ-ecdysterone

Itcmdb Generated

ITX-INGREDIENT-068C76647C50ITX-INGREDIENT-15EE1047C3AFITX-INGREDIENT-42B52E67D7E0ITX-INGREDIENT-603FC761B2B3ITX-INGREDIENT-6705E1BA9EB7ITX-INGREDIENT-6E5AD7516323ITX-INGREDIENT-87CF7131779DITX-INGREDIENT-8EDF7B52E816ITX-INGREDIENT-8F4E3CA5AA35ITX-INGREDIENT-90D8CC264F2EITX-INGREDIENT-9172DDDB31D8ITX-INGREDIENT-CE9C77EA0980ITX-INGREDIENT-CF16AFA48FEEITX-INGREDIENT-DDEB93FB5C96ITX-INGREDIENT-E7A8C7286CB8

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredientsOther ingredients,Metabolic ingredients

Alog P

In Ch I

InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21+,22+,24+,25+,26+,27+/m0/s1InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19-,20+,21-,22+,24+,25+,26+,27+/m0/s1

Mol Wt

464.6430000000003480.6420000000003

Smiles

CC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)C(CCC(C)(C)O)OCC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O[C@@]1([H])(O[H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@@](C([H])([H])[H])(O[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C(O[H])(C([H])([H])[H] )C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]23O[H])C3=C([H])C4=O)[C@@]4([H])C([H])([H])[C@@]1([H])O[H][C@@]1([H])(O[H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@@](C([H])([H])[H])([H])[C@@](O[H])([H])C([H])([H])C([H])([H])C(O[H])(C([H])([H])[H] )C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]23O[H])C3=C([H])C4=O)[C@@]4([H])C([H])([H])[C@@]1([H])O[H][C@@]1([H])(O[H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@@](O[H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C(C([H])([H])[H])(O[H ])C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]23O[H])C3=C([H])C4=O)[C@@]4([H])C([H])([H])[C@@]1([H])O[H]

37 Flag

C Count

Mol Log P

1.8540000000000012.739100000000002

N Count

O Count

P Count

S Count

Version

v1,v2v2

In Ch Ikey

NKDFYOWSKOHCCO-FUPYWMNSSA-NNKDFYOWSKOHCCO-RVRVBGOXSA-NNKDFYOWSKOHCCO-YPVLXUMRSA-NUPEZCKBFRMILAV-JMZLNJERSA-N

Ob Score

15.2788265315.27944.2344.2303117144.2303125.3005875.3005874025.300587;15.278827;6.9411115.3016.9416.941111167

Suppress

Tcm Name

牛膝白僵蚕;小叶贯众;欧洲蕨;螺厣草;水龙骨;大花剪秋罗;紫萁;原蚕蛾;小乌毛蕨;多足蕨紫萁;桑叶;螺厣草;鸡毛松;紫杉;小叶贯众;麻牛膝;漏芦;罗汉松叶;白毛夏枯草;川牛膝;土牛膝;苍白秤钩风;牛膝;水龙骨;瓦韦;钝叶土牛膝;延龄草;蚤休(七叶一枝花)露水草

Tcm Name2

BAI JIANG CAN;XIAO YE GUAN ZHONG;OU ZHOU JUE;LUO YAN CAO;SHUI LONG GU;DA HUA JIAN QIU LUO;ZI QI;YUAN CAN E;XIAO WU MAO JUE;DUO ZU JUELU SHUI CAOZAO XIUZI QI;SANG YE;LUO YAN CAO;JI MAO SONG;TAN LING CAO;ZI SHAN;XIAO YE GUAN ZHONG;MA NIU XI;LOU LU;LUO HAN SONG YE;BAI MAO XIA KU CAO;CHUAN NIU XI;TU NIU XI;CANG BAI CHENG GOU FENG;NIU XI;SHUI LONG GU;WA WEI;TU NIU XI;DUN YE TU NIU XI;YAN LING CAO;

Mol2 Path

/TCM_database/2003_3d_all/2650.mol2/TCM_database/2003_3d_all/2651.mol2/TCM_database/2007_3d_all/03944.mol2/TCM_database/2007_3d_all/16671.mol2/TCM_database/8.活血化瘀药(33-33)/2.活血调经药(11-11)/牛膝/structure/ecdysterone.mol2

Reference

2, 6, 194, 580, 582, 658, 660, 5501, 5508314466, 658, 5505

Num Hdonors

Tcm Name En

Achyranthes bidentataCommon CyanotisJapanese Osmunda Frond;White Mulberry Leaf;Littleleaf Lemmaphyyllum Herb;Imbricate Podocarpus;Japanese Yew;Matteuccia Frond;Capitate Cyathula;Uniflower Swisscentaury ;Longleaf Podocarpus Leaf;Decumbent BugIe;Mediinal Cyathula;Common Achyranthes;White Mulberry;Imbricate Podocarpus;Decumbent Bugle;Glaucesent Diploclisia;GIaucesent DipIocIisia ;Uniflower Swisscentaury;Twotooth Achyranthes;Japanese Polypody ;Thunberg’s Lepisorus;Japanese Yew ;Obtuseleaf Achyranthes;Littleleaf Lemmaphyyllum Herb;Japanese Polypody;Tschonosk Trillium;Japanese Osmunda Frond ;Longleaf Podocarpus Leaf ;Matteuccia Frond;Thunberg's Lepisorus;Twotooth Achyranthes Manyleaf ParisSilkworm Larva;Matteuccia Frond;Bracken;Littleleaf Lemmaphyyllum Herb;Japanese Polypody ;BriIIiant Campion;Japanese Osmunda Frond ;Silkworm King;Minus Hard-fern* ;Common Polypody

Level1 Name

8.活血化瘀药(33-33)

Level2 Name

2.活血调经药(11-11)

Num H Donors

Drug Likeness

0.3530.427

Num Hacceptors

Level1 Name En

blood-activating and stasis-resolving medicinal

Level2 Name En

blood-activating menstruationregulating medicinal

Isomeric Smiles

C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)[C@@H](CCC(C)(C)O)OC[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)OC[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)OC[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O

Molecule Weight

480.71

Num H Acceptors

Canonical Smiles

CC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)C(CCC(C)(C)O)OCC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O

Herb Alias Names

ECDYSONE3604-87-3CCRIS 6931EINECS 222-760-4UNII-RH692X7B7B(2beta,3beta,5beta,22R)-2,3,14,22,25-Pentahydroxycholest-7-en-6-oneBRN 2422986RH692X7B7BCHEBI:16688

Molecular Weight

464.310480.310

Molecular Volume

348

Molecular Weight

464.6 g/mol480.6 g/mol480.63481

Molecule Formula

C27H44O6C27H44O7

Molecular Formula

C27H44O6C27H44O7

Molecular Formula

C27H44O6C27H44O7

Molecular Formula

C27H44O6C27H44O7

Num Rotatable Bonds

Molecular Polar Surface Area

138

Fda Maximum Daily Dose (Fdamdd)

0.5910.6040.8210.9370.9460.950

Quantitative Estimate Of Drug Likeness（Qed）

0.3310.399