IngredientID 20153

Ginkgolid b

C20H24O10

Relationship Network

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

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Experiment: 1Herb: 3Ingredient: 1Reference: 4Target: 14Links: 22

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 20153
Core Entity Id: 25580
Source Entity Count: 1
Preferred Name: Ginkgolid b
Name En
Pubchem Id: 101599976
Smiles Canonical: CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
Molecular Formula: C20H24O10
Molecular Weight: 424.4020
Inchikey: SQOJOAFXDQDRGF-NNGCZKEZSA-N
Inchi: InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3
Isomeric Smiles: CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O
Cas Id
Ob Score: 42.8410
Mol Logp: -1.3695
Num H Donors: 3
Num H Acceptors: 10
Num Rotatable Bonds: 0
Drug Likeness: 0.3140
Polar Surface Area: 149.0000
Molecular Volume: 258.0000
Alogp: -1.0000

Names

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

Name

Ginkgolid B

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Ginkgolid B

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ginkgolid B

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ginkgolid b

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ginkgolid b

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ginkgolide B

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Ginkgolide B

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ginkgolide B

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ginkgolide b

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ginkgolide b

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

白果叶(银杏叶),白果根,白果

Role

TCM_name

Source

TCMBank

Preferred

Name

银杏

Role

TCM_name

Source

TCMBank

Preferred

Name

BAI GUO YE,BAI GUO GEN,BAI GUO

Role

TCM_name2

Source

TCMBank

Preferred

Name

Ginkgo

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Ginkgo Leaf,Ginkgo Root,Ginkgo Nut

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(1R,3R,6R,8S,10R,12R,13S,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0(1,11).0(3,7).0(7,11).0(13,17)]nonadecane-5,15,18-trione

Role

alias

Source

HERB_v2

Preferred

Name

(1R,3R,6R,8S,10R,12R,13S,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0(1,11).0(3,7).0(7,11).0(13,17)]nonadecane-5,15,18-trione

Role

alias

Source

itcmdb_public

Preferred

Name

15291-77-7

Role

alias

Source

itcmdb_public

Preferred

Name

15291-77-7

Role

alias

Source

TCMBank

Preferred

Name

15291-77-7

Role

alias

Source

HERB_v2

Preferred

Name

AC-8035

Role

alias

Source

TCMBank

Preferred

Name

AKOS015963424

Role

alias

Source

TCMBank

Preferred

Name

BN 52021

Role

alias

Source

itcmdb_public

Preferred

Name

BN-52021

Role

alias

Source

HERB_v2

Preferred

Name

BN52021

Role

alias

Source

TCMBank

Preferred

Name

C20H24O10

Role

alias

Source

itcmdb_public

Preferred

Name

C20H24O10

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:5356

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:5356

Role

alias

Source

HERB_v2

Preferred

Name

Gingko lactone

Role

alias

Source

itcmdb_public

Preferred

Name

Gingko lactone

Role

alias

Source

HERB_v2

Preferred

Name

Ginkgolide B

Role

alias

Source

itcmdb_public

Preferred

Name

Ginkgolide B

Role

alias

Source

HERB_v2

Preferred

Name

Ginklide B

Role

alias

Source

HERB_v2

Preferred

Name

Ginklide B

Role

alias

Source

itcmdb_public

Preferred

Name

Ginkolide B

Role

alias

Source

HERB_v2

Preferred

Name

Ginkolide B

Role

alias

Source

itcmdb_public

Preferred

Name

MEGxp0_001782

Role

alias

Source

HERB_v2

Preferred

Name

MEGxp0_001782

Role

alias

Source

itcmdb_public

Preferred

Name

NCGC00384675-01

Role

alias

Source

itcmdb_public

Preferred

Name

NCGC00384675-01

Role

alias

Source

HERB_v2

Preferred

Name

SR-01000597598

Role

alias

Source

HERB_v2

Preferred

Name

SR-01000597598

Role

alias

Source

itcmdb_public

Preferred

Name

ginkgolid b

Role

alias

Source

TCMBank

Preferred

Name

ginkgolide b

Role

alias

Source

TCMBank

Preferred

Name

9.化痰止咳平喘药(34-34)

Role

level1_name

Source

TCMBank

Preferred

Name

cough-suppressing and panting-calming medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

3.止咳平喘药(11-11)

Role

level2_name

Source

TCMBank

Preferred

Name

cough-suppressing and panting-calming medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

Ginkgolide B白果叶(银杏叶),白果根,白果银杏BAI GUO YE,BAI GUO GEN,BAI GUOGinkgoGinkgo Leaf,Ginkgo Root,Ginkgo Nut(1R,3R,6R,8S,10R,12R,13S,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0(1,11).0(3,7).0(7,11).0(13,17)]nonadecane-5,15,18-trione15291-77-7AC-8035AKOS015963424BN 52021BN-52021BN52021C20H24O10CHEBI:5356Gingko lactoneGinklide BGinkolide BMEGxp0_001782NCGC00384675-01SR-010005975989.化痰止咳平喘药(34-34)cough-suppressing and panting-calming medicinal3.止咳平喘药(11-11)

Cross References

Trusted external identifiers retained for this final record.

Cas

15291-77-7

Herb

HBIN027682HBIN027684

Tcmid

310358404

Tcmsp

MOL011059MOL011061MOL011586

Sym Map

SMIT12014SMIT12015SMIT15556SMIT19212

Tcm Id

113921282812829128301283112832181191812018121181221812319865

Pub Chem

101599976102004390109719311197312212901007312931687012962904312963052712963064613619965813840286813840440114615736115944904177510092488399324883994441294528104763246176524369179299047981992044465

Tcmbank

TCMBANKIN029928TCMBANKIN043934TCMBANKIN053060

Etcm Ingredient

Ginkgolid BGinkgolide B

Itcmdb Generated

ITX-INGREDIENT-75EDCB15C472ITX-INGREDIENT-7CF12F4384B2ITX-INGREDIENT-996A72EDC051

Attributes

Merged source attributes and domain-specific metadata.

Alog P

-1

In Ch I

InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11+,15+,17?,18?,19-,20-/m1/s1

Mol Wt

424.4020000000002

Smiles

CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)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)[C@]1([H])O[H])[C@]([H])(C([H])([H]) [H])C(=O)O2[C@]12(O[H])[C@]([H])([C@@]([H])(O[H])[C@]([C@]([H])(OC3=O)C([H])([H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])([C@@]45[C@@]([H])(OC(=O)[C@]5([H])O[H])O6)[C@@]136)OC(=O)[C@@]2([H])C( [H])([H])[H]

37 Flag

C Count

Mol Log P

-1.369499999999999

N Count

O Count

P Count

S Count

Version

v1,v2

In Ch Ikey

SQOJOAFXDQDRGF-NNGCZKEZSA-NSQOJOAFXDQDRGF-UHFFFAOYSA-N

Ob Score

42.84142.84103942.8410394946.13646.1360065446.136007

Suppress

Tcm Name

白果叶(银杏叶),白果根,白果银杏

Tcm Name2

BAI GUO YE,BAI GUO GEN,BAI GUO

Mol2 Path

/TCM_database/2003_3d_all/3353.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 B.mol2

Reference

6, 900, 3891, 5013, 5050, 5507, 5508

Num Hdonors

Tcm Name En

Ginkgo Ginkgo Leaf,Ginkgo Root,Ginkgo Nut

Level1 Name

9.化痰止咳平喘药(34-34)

Level2 Name

3.止咳平喘药(11-11)

Num H Donors

Drug Likeness

0.314

Num Hacceptors

Level1 Name En

cough-suppressing and panting-calming medicinal

Level2 Name En

cough-suppressing and panting-calming medicinal

Isomeric Smiles

CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)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([C@H]2O)C6([C@@H](C5)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)O)O

Molecule Weight

424.44

Num H Acceptors

Canonical Smiles

CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O

Herb Alias Names

Ginkgolide B15291-77-7BN-52021CHEBI:5356MEGxp0_001782(1R,3R,6R,8S,10R,12R,13S,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0(1,11).0(3,7).0(7,11).0(13,17)]nonadecane-5,15,18-trioneNCGC00384675-01

Molecular Weight

424.140

Molecular Volume

258

Molecular Weight

424424.4 g/mol

Molecule Formula

C20H24O10

Molecular Formula

C20H24O10

Molecular Formula

C20H24O10

Molecular Formula

C20H24O10

Num Rotatable Bonds

Link Ingredient Id

12014.012015.0

Num Rotatable Bonds

Molecular Polar Surface Area

149

Fda Maximum Daily Dose (Fdamdd)

0.2020.803

Quantitative Estimate Of Drug Likeness（Qed）

0.3140.398