Summary

IMPPAT Phytochemical identifier: IMPHY010401

Phytochemical name: 7-Hydroxy-6-methyl-2H-1-benzopyran-2-one

Synonymous chemical names:
7-hydroxy-6-methlcoumarin

External chemical identifiers:
CID:5412913, ChEBI:173811, SureChEMBL:SCHEMBL4545214

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Chemical structure information

SMILES:
O=c1ccc2c(o1)cc(c(c2)C)O

InChI:
InChI=1S/C10H8O3/c1-6-4-7-2-3-10(12)13-9(7)5-8(6)11/h2-5,11H,1H3

InChIKey:
QWQWBHZHRMHXOC-UHFFFAOYSA-N

DeepSMILES:
O=ccccco6)cccc6)C))O

Functional groups:
c=O, cO, 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

ClassyFire Subclass: Hydroxycoumarins

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Simple coumarins

NP-Likeness score: 1.04

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Chemical structure download