Summary

IMPPAT Phytochemical identifier: IMPHY014212

Phytochemical name: 7-methoxy-2-oxo-2H-chromene-8-carbaldehyde

Synonymous chemical names:
7-methoxy-8-formyl coumarin, 7-methoxy-8-formylcoumarin, paniculal

External chemical identifiers:
CID:11275724, ZINC:ZINC000014611158

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Chemical structure information

SMILES:
O=Cc1c(OC)ccc2c1oc(=O)cc2

InChI:
InChI=1S/C11H8O4/c1-14-9-4-2-7-3-5-10(13)15-11(7)8(9)6-12/h2-6H,1H3

InChIKey:
AOXODSXRUFTUGB-UHFFFAOYSA-N

DeepSMILES:
O=CccOC))cccc6oc=O)cc6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2ccccc2o1

Scaffold Graph/Node level:
OC1CCC2CCCCC2O1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Coumarins and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Simple coumarins

NP-Likeness score: 1.133

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Chemical structure download