Summary

IMPPAT Phytochemical identifier: IMPHY007608

Phytochemical name: Coixinden A

Synonymous chemical names:
coixinden a

External chemical identifiers:
CID:9845243, ChEBI:81379, SureChEMBL:SCHEMBL9067171

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Chemical structure information

SMILES:
COc1ccc2c(c1)C(=CC2=O)OC

InChI:
InChI=1S/C11H10O3/c1-13-7-3-4-8-9(5-7)11(14-2)6-10(8)12/h3-6H,1-2H3

InChIKey:
XYQHDIQOTJVFDF-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)C=CC5=O)))OC

Functional groups:
COC1=CC(=O)cc1, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=Cc2ccccc21

Scaffold Graph/Node level:
OC1CCC2CCCCC12

Scaffold Graph level:
CC1CCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Indenes and isoindenes

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.014

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Chemical structure download