IngredientID 10582

Ginkgetin

C32H22O10

Relationship Network

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

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Experiment: 2Herb: 10Ingredient: 1Reference: 4Target: 12Links: 28

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 10582
Core Entity Id: 14924
Source Entity Count: 1
Preferred Name: Ginkgetin
Name En
Pubchem Id: 5271805
Smiles Canonical: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O
Molecular Formula: C32H22O10
Molecular Weight: 566.5180
Inchikey: AIFCFBUSLAEIBR-UHFFFAOYSA-N
Inchi: InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-36H,1-2H3
Isomeric Smiles: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O
Cas Id: 481-46-9
Ob Score: 22.1896
Mol Logp: 5.7400
Num H Donors: 4
Num H Acceptors: 10
Num Rotatable Bonds: 5
Drug Likeness: 0.2030
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Amentoflavone; 4''',7''-di-me ether

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Amentoflavone; 4''',7''-di-me ether

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ginkgetin

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ginkgetin

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ginkgetin

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ginkgetin

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ginkgetin 7''-O--beta-D-glucopyranoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Ginkgetin 7''-o-beta-d-glucopyranoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ginkgetin 7''-o-beta-d-glucopyranoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

amentoflavone; 4''',7''-di-me ether

Role

preferred

Source

TCMBank

Preferred

Yes

Name

朝鲜淫羊藿

Role

TCM_name

Source

TCMBank

Preferred

Name

CHAO XIAN YIN YANG HUO

Role

TCM_name2

Source

TCMBank

Preferred

Name

Korean Epimedium

Role

TCM_name_en

Source

TCMBank

Preferred

Name

3''',8-Biflavone, 4',5,5'',7-tetrahydroxy-4''',7''-dimethoxy-

Role

alias

Source

TCMBank

Preferred

Name

4''',5,5'',7''-tetrahydroxy-4',7-dimethoxy-(3'->8'')-biflavone

Role

alias

Source

TCMBank

Preferred

Name

481-46-9

Role

alias

Source

HERB_v2

Preferred

Name

481-46-9

Role

alias

Source

TCMBank

Preferred

Name

481-46-9

Role

alias

Source

itcmdb_public

Preferred

Name

481G469

Role

alias

Source

TCMBank

Preferred

Name

4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)-

Role

alias

Source

itcmdb_public

Preferred

Name

4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)-

Role

alias

Source

TCMBank

Preferred

Name

4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)-

Role

alias

Source

HERB_v2

Preferred

Name

5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

Role

alias

Source

TCMBank

Preferred

Name

5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)-4H-chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

5,7-dihydroxy-8-[5-(5-hydroxy-4-keto-7-methoxy-chromen-2-yl)-2-methoxy-phenyl]-2-(4-hydroxyphenyl)chromone

Role

alias

Source

TCMBank

Preferred

Name

5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-2-chromenyl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-4-chromenone

Role

alias

Source

TCMBank

Preferred

Name

5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-4-one

Role

alias

Source

TCMBank

Preferred

Name

7,4'-Dimethylamentoflavone

Role

alias

Source

itcmdb_public

Preferred

Name

7,4'-Dimethylamentoflavone

Role

alias

Source

TCMBank

Preferred

Name

7,4'-Dimethylamentoflavone

Role

alias

Source

HERB_v2

Preferred

Name

AC1NRS0B

Role

alias

Source

TCMBank

Preferred

Name

AIDS-210280

Role

alias

Source

TCMBank

Preferred

Name

AIFCFBUSLAEIBR-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

AK546723

Role

alias

Source

TCMBank

Preferred

Name

AKOS015896770

Role

alias

Source

TCMBank

Preferred

Name

AN-45198

Role

alias

Source

TCMBank

Preferred

Name

Amentoflavone 7,4'-dimethyl ether

Role

alias

Source

itcmdb_public

Preferred

Name

Amentoflavone 7,4'-dimethyl ether

Role

alias

Source

TCMBank

Preferred

Name

Amentoflavone 7,4'-dimethyl ether

Role

alias

Source

HERB_v2

Preferred

Name

BDBM50323199

Role

alias

Source

TCMBank

Preferred

Name

BG01788374

Role

alias

Source

TCMBank

Preferred

Name

BRD-K92123432-237-02-8

Role

alias

Source

TCMBank

Preferred

Name

BSPBio_003374

Role

alias

Source

TCMBank

Preferred

Name

C10048

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:5353

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:5353

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:5353

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL377324

Role

alias

Source

TCMBank

Preferred

Name

CS-3727

Role

alias

Source

TCMBank

Preferred

Name

DTXSID70197416

Role

alias

Source

itcmdb_public

Preferred

Name

DTXSID70197416

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID70197416

Role

alias

Source

TCMBank

Preferred

Name

FT-0686623

Role

alias

Source

TCMBank

Preferred

Name

Ginkgetin

Role

alias

Source

itcmdb_public

Preferred

Name

Ginkgetin

Role

alias

Source

HERB_v2

Preferred

Name

Ginkgetin 7''-O-beta-D-glucopyranoside

Role

alias

Source

TCMBank

Preferred

Name

HY-N0889

Role

alias

Source

TCMBank

Preferred

Name

HY5EZW8269

Role

alias

Source

itcmdb_public

Preferred

Name

HY5EZW8269

Role

alias

Source

HERB_v2

Preferred

Name

I07-0249

Role

alias

Source

TCMBank

Preferred

Name

KBio2_002469

Role

alias

Source

TCMBank

Preferred

Name

KBio2_005037

Role

alias

Source

TCMBank

Preferred

Name

KBio2_007605

Role

alias

Source

TCMBank

Preferred

Name

KBio3_002594

Role

alias

Source

TCMBank

Preferred

Name

KBioGR_001959

Role

alias

Source

TCMBank

Preferred

Name

KBioSS_002476

Role

alias

Source

TCMBank

Preferred

Name

LMPK12040003

Role

alias

Source

TCMBank

Preferred

Name

MolPort-020-005-958

Role

alias

Source

TCMBank

Preferred

Name

Q-100523

Role

alias

Source

TCMBank

Preferred

Name

SC-15804

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL888410

Role

alias

Source

TCMBank

Preferred

Name

SPBio_000207

Role

alias

Source

TCMBank

Preferred

Name

Spectrum2_000054

Role

alias

Source

TCMBank

Preferred

Name

Spectrum3_001727

Role

alias

Source

TCMBank

Preferred

Name

Spectrum4_001610

Role

alias

Source

TCMBank

Preferred

Name

Spectrum5_000339

Role

alias

Source

TCMBank

Preferred

Name

Spectrum_001932

Role

alias

Source

TCMBank

Preferred

Name

Y0086

Role

alias

Source

TCMBank

Preferred

Name

ZINC1531664

Role

alias

Source

TCMBank

Preferred

Name

ginkgetin

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

Amentoflavone; 4''',7''-di-me etherGinkgetin 7''-O--beta-D-glucopyranosideGinkgetin 7''-o-beta-d-glucopyranoside朝鲜淫羊藿CHAO XIAN YIN YANG HUOKorean Epimedium3''',8-Biflavone, 4',5,5'',7-tetrahydroxy-4''',7''-dimethoxy-4''',5,5'',7''-tetrahydroxy-4',7-dimethoxy-(3'->8'')-biflavone481-46-9481G4694H-1-Benzopyran-4-one, 5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)-5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)-4H-chromen-4-one5,7-dihydroxy-8-[5-(5-hydroxy-4-keto-7-methoxy-chromen-2-yl)-2-methoxy-phenyl]-2-(4-hydroxyphenyl)chromone5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-2-chromenyl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-4-chromenone5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)chromen-4-one7,4'-DimethylamentoflavoneAC1NRS0BAIDS-210280AIFCFBUSLAEIBR-UHFFFAOYSA-NAK546723AKOS015896770AN-45198Amentoflavone 7,4'-dimethyl etherBDBM50323199BG01788374BRD-K92123432-237-02-8BSPBio_003374C10048CHEBI:5353CHEMBL377324CS-3727DTXSID70197416FT-0686623HY-N0889HY5EZW8269I07-0249KBio2_002469KBio2_005037KBio2_007605KBio3_002594KBioGR_001959KBioSS_002476LMPK12040003MolPort-020-005-958Q-100523SC-15804SCHEMBL888410SPBio_000207Spectrum2_000054Spectrum3_001727Spectrum4_001610Spectrum5_000339Spectrum_001932Y0086ZINC1531664

Cross References

Trusted external identifiers retained for this final record.

Cas

481-46-9

Hit

C0497

Herb

HBIN015837HBIN027676HBIN027677

Npass

NPC265624

Tcmid

84008401

Tcmsp

MOL002509

Sym Map

SMIT04730SMIT15555

Tcm Id

1048510486104961049710498104991050010501105021050312815128161282312824128251282612994181081811118112181131811418115181161985922517225182251940616838

Pub Chem

5271805

Tcmbank

TCMBANKIN008613TCMBANKIN036874

Etcm Ingredient

Ginkgetin 7''-O--beta-D-glucopyranoside

Itcmdb Generated

ITX-INGREDIENT-BF7C37A7868A

Attributes

Merged source attributes and domain-specific metadata.

In Ch I

InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33-36H,1-2H3

Mol Wt

566.5180000000005

Cas Id

481-46-9

Mol Log P

5.740000000000006

Version

v1,v2

In Ch Ikey

AIFCFBUSLAEIBR-UHFFFAOYSA-N

Ob Score

22.189626922.18962722.19

Suppress

Tcm Name

朝鲜淫羊藿

Tcm Name2

CHAO XIAN YIN YANG HUO

Mol2 Path

/TCM_database/2007_3d_all/08401.mol2

Reference

2, 442, 658, 4415, 5501, 5505, 5508

Num Hdonors

Tcm Name En

Korean Epimedium

Drug Likeness

0.203

Num Hacceptors

Isomeric Smiles

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O

Molecule Weight

566.54

Canonical Smiles

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O

Molecular Weight

728.170

Molecular Weight

566.51

Molecule Formula

C32H22O10

Molecular Formula

C38H32O15

Molecular Formula

C32H22O10

Molecular Formula

C32H22O10

Num Rotatable Bonds

Link Ingredient Id

4730.0

Fda Maximum Daily Dose (Fdamdd)

0.064

Quantitative Estimate Of Drug Likeness（Qed）

0.119