IngredientID 20152

Ginkgolid a

C20H24O9

Relationship Network

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Herb: 5Ingredient: 1Target: 14Links: 19

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 20152
Core Entity Id: 25579
Source Entity Count: 1
Preferred Name: Ginkgolid a
Name En
Pubchem Id: 102004392
Smiles Canonical: CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
Molecular Formula: C20H24O9
Molecular Weight: 408.4030
Inchikey: FPUXKXIZEIDQKW-TVPHMGRTSA-N
Inchi: InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3
Isomeric Smiles: CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
Cas Id
Ob Score: 13.8239
Mol Logp: -0.3403
Num H Donors: 2
Num H Acceptors: 9
Num Rotatable Bonds: 0
Drug Likeness: 0.4080
Polar Surface Area: 129.0000
Molecular Volume: 259.0000
Alogp: 0.0000

Names

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

Name

Ginkgolide A

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Ginkgolid A

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ginkgolid A

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Ginkgolid A

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ginkgolid a

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ginkgolid a

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ginkgolide A

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ginkgolide A

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Ginkgolide A

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ginkgolide a

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ginkgolide a

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

白果叶(银杏叶)

Role

TCM_name

Source

TCMBank

Preferred

Name

BAI GUO YE

Role

TCM_name2

Source

TCMBank

Preferred

Name

Ginkgo Leaf

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(1S,3R,6R,7S,8S,10R,11S,13S,16S,17R)-8-Tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

Role

alias

Source

itcmdb_public

Preferred

Name

(1S,3R,6R,7S,8S,10R,11S,13S,16S,17R)-8-Tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

Role

alias

Source

HERB_v2

Preferred

Name

15291-75-5

Role

alias

Source

HERB_v2

Preferred

Name

15291-75-5

Role

alias

Source

itcmdb_public

Preferred

Name

15291-75-5

Role

alias

Source

TCMBank

Preferred

Name

15291-75-5

Role

alias

Source

SymMap_v2

Preferred

Name

8-Tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

Role

alias

Source

HERB_v2

Preferred

Name

8-Tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione

Role

alias

Source

itcmdb_public

Preferred

Name

9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12(4H)-trione, 3-tert-butylhexahydro-4,7b-dihydroxy-8-methyl-

Role

alias

Source

HERB_v2

Preferred

Name

9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12(4H)-trione, 3-tert-butylhexahydro-4,7b-dihydroxy-8-methyl-

Role

alias

Source

itcmdb_public

Preferred

Name

AC-8034

Role

alias

Source

SymMap_v2

Preferred

Name

AC-8034

Role

alias

Source

TCMBank

Preferred

Name

AKOS015963408

Role

alias

Source

TCMBank

Preferred

Name

AKOS015963408

Role

alias

Source

SymMap_v2

Preferred

Name

BN52020

Role

alias

Source

itcmdb_public

Preferred

Name

BN52020

Role

alias

Source

HERB_v2

Preferred

Name

C20H24O9

Role

alias

Source

HERB_v2

Preferred

Name

C20H24O9

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:181554

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:181554

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:5355

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:5355

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL1408113

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL1408113

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL2112174

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL2112174

Role

alias

Source

HERB_v2

Preferred

Name

Ginkgolide A

Role

alias

Source

TCMBank

Preferred

Name

Ginkgolide A

Role

alias

Source

itcmdb_public

Preferred

Name

Ginkgolide A

Role

alias

Source

SymMap_v2

Preferred

Name

Ginkgolide A

Role

alias

Source

HERB_v2

Preferred

Name

Ginkgolide A from Ginkgo biloba leaves

Role

alias

Source

itcmdb_public

Preferred

Name

Ginkgolide A from Ginkgo biloba leaves

Role

alias

Source

HERB_v2

Preferred

Name

HMS3884K20

Role

alias

Source

itcmdb_public

Preferred

Name

HMS3884K20

Role

alias

Source

HERB_v2

Preferred

Name

MLS006011131

Role

alias

Source

itcmdb_public

Preferred

Name

MLS006011131

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL14029426

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL14029426

Role

alias

Source

itcmdb_public

Preferred

Name

SCHEMBL24818724

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL24818724

Role

alias

Source

itcmdb_public

Preferred

Name

ginkgolid a

Role

alias

Source

TCMBank

Preferred

Name

s2026

Role

alias

Source

itcmdb_public

Preferred

Name

s2026

Role

alias

Source

HERB_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

Ginkgolide A白果叶(银杏叶)BAI GUO YEGinkgo Leaf(1S,3R,6R,7S,8S,10R,11S,13S,16S,17R)-8-Tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione15291-75-58-Tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12(4H)-trione, 3-tert-butylhexahydro-4,7b-dihydroxy-8-methyl-AC-8034AKOS015963408BN52020C20H24O9CHEBI:181554CHEBI:5355CHEMBL1408113CHEMBL2112174Ginkgolide A from Ginkgo biloba leavesHMS3884K20MLS006011131SCHEMBL14029426SCHEMBL24818724s2026

Cross References

Trusted external identifiers retained for this final record.

Cas

15291-75-5

Herb

HBIN027681HBIN027683

Tcmid

310348403

Tcmsp

MOL011058MOL011060

Sym Map

SMIT00803SMIT12013SMIT19211

Tcm Id

104871048810489128271425214253145451526515659181171811819864

Pub Chem

102004392104315741152211290100901293168691296290361298969713469216813810778513840433815944765159785562172580623817960248838552488385644129346783823641999366524188783583369909368

Tcmbank

TCMBANKIN023193TCMBANKIN041929TCMBANKIN050851

Etcm Ingredient

Ginkgolid AGinkgolide A

Itcmdb Generated

ITX-INGREDIENT-4198F8C15189ITX-INGREDIENT-6119557C493AITX-INGREDIENT-D1F98DA04D85

Attributes

Merged source attributes and domain-specific metadata.

Type

Blood ingredients,Other ingredients

Alog P

In Ch I

InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17?,18?,19-,20-/m1/s1

Mol Wt

408.4030000000001

Smiles

CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O[C@@]12([H])[C@@](O[H])([C@]34[C@]([C@]([H])(OC3=O)C([H])([H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])([C@@]56[C@@]([H])(OC(=O)[C@]6([H])O[H])O4)C1([H])[H])[C@]([H])(C([H])([H])[H]) C(=O)O2

37 Flag

C Count

Mol Log P

-0.3402999999999995

N Count

O Count

P Count

S Count

Version

v1,v2

In Ch Ikey

FPUXKXIZEIDQKW-TVPHMGRTSA-NFPUXKXIZEIDQKW-UHFFFAOYSA-N

Ob Score

13.82388113.8238814313.82415.57578715.5757870215.576

Suppress

Tcm Name

白果叶(银杏叶)

Tcm Name2

BAI GUO YE

Mol2 Path

/TCM_database/2003_3d_all/3352.mol2/TCM_database/9.化痰止咳平喘药(34-34)/3.止咳平喘药(11-11)/银杏/structure/ginkgolide A.mol2

Reference

6, 658, 900, 5507, 5508

Num Hdonors

Tcm Name En

Ginkgo Leaf

Num H Donors

Drug Likeness

0.408

Num Hacceptors

Isomeric Smiles

CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)OC[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5C3(C2)C6([C@@H](C5)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O

Molecule Weight

408.44

Num H Acceptors

Canonical Smiles

CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O

Herb Alias Names

Ginkgolide ABN5202015291-75-5CHEBI:5355MLS006011131CHEMBL2112174SCHEMBL24818724HMS3884K20s2026

Molecular Weight

408.140

Molecular Volume

259

Molecular Weight

408.4408.4 g/mol

Molecule Formula

C20H24O9

Molecular Formula

C20H24O9

Molecular Formula

C20H24O9

Molecular Formula

C20H24O9

Num Rotatable Bonds

Link Ingredient Id

12013.0

Num Rotatable Bonds

Molecular Polar Surface Area

129

Fda Maximum Daily Dose (Fdamdd)

0.2640.954

Quantitative Estimate Of Drug Likeness（Qed）

0.4080.517