Summary

IMPPAT Phytochemical identifier: IMPHY004546

Phytochemical name: Ginkgetin

Synonymous chemical names:
ginkgetin, ginkgetin 7''-o-beta-d-glucopyranoside

External chemical identifiers:
CID:5271805, ChEMBL:CHEMBL377324, ChEBI:5353, ZINC:ZINC000001531664, SureChEMBL:SCHEMBL888410, MolPort-020-005-958

---

Chemical structure information

SMILES:
COc1ccc(cc1c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O)c1cc(=O)c2c(o1)cc(cc2O)OC

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

InChIKey:
AIFCFBUSLAEIBR-UHFFFAOYSA-N

DeepSMILES:
COcccccc6ccO)cccc6occc6=O)))cccccc6))O)))))))))O)))))))ccc=O)cco6)cccc6O)))OC

Functional groups:
c=O, cO, cOC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2cccc(-c3cccc4c(=O)cc(-c5ccccc5)oc34)c2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCC(C3CCCC4C(O)CC(C5CCCCC5)OC43)C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCC(C3CCCC4C(C)CC(C5CCCCC5)CC43)C2)CC2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Biflavonoids and polyflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.023

---

Chemical structure download