Summary

IMPPAT Phytochemical identifier: IMPHY000278

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

Synonymous chemical names:
7-methoxy-6-methylcoumarin

External chemical identifiers:
CID:11106144, ChEBI:172432, ZINC:ZINC000014488862

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Chemical structure information

SMILES:
COc1cc2oc(=O)ccc2cc1C

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

InChIKey:
XROAZTOPXRDRAO-UHFFFAOYSA-N

DeepSMILES:
COcccoc=O)ccc6cc%10C

Functional groups:
c=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: 0.481

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Chemical structure download