Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015019

Phytochemical name: 6,7-Dihydroxy-8-methoxycoumarin

Synonymous chemical names:
coumarin,6,7-dihydroxy-8-methoxy, 6,7-dihydroxy-8-methoxy-coumarin

External chemical identifiers:
CID:CID_13704001

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Chemical structure information

SMILES:
COc1c(O)c(O)cc2c1oc(=O)cc2

InChI:
InChI=1S/C10H8O5/c1-14-10-8(13)6(11)4-5-2-3-7(12)15-9(5)10/h2-4,11,13H,1H3

InChIKey:
CNRQIGWFHQJJRO-UHFFFAOYSA-N

DeepSMILES:
COccO)cO)ccc6oc=O)cc6

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

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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: 1.579

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Chemical structure download