Summary

IMPPAT Phytochemical identifier: IMPHY005538

Phytochemical name: Ginkgolic acid

Synonymous chemical names:
ginkgolic acid

External chemical identifiers:
CID:5281858, ChEMBL:CHEMBL445177, ChEBI:5354, ZINC:ZINC000008234358, SureChEMBL:SCHEMBL163525, MolPort-003-665-927

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Chemical structure information

SMILES:
CCCCCC/C=CCCCCCCCc1cccc(c1C(=O)O)O

InChI:
InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-

InChIKey:
YXHVCZZLWZYHSA-FPLPWBNLSA-N

DeepSMILES:
CCCCCC/C=CCCCCCCCcccccc6C=O)O)))O

Functional groups:
C/C=CC, cC(=O)O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Catechols with side chains

NP-Likeness score: 0.928

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Chemical structure download