Summary

IMPPAT Phytochemical identifier: IMPHY011236

Phytochemical name: 7-Hydroxy-8-methoxycoumarin

Synonymous chemical names:
7-hydroxy-8-methoxycoumarin, daphnetin-8-methyl ether, hydrangetin

External chemical identifiers:
CID:5316302, ChEMBL:CHEMBL2331585, SureChEMBL:SCHEMBL11434277

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Chemical structure information

SMILES:
COc1c(O)ccc2c1oc(=O)cc2

InChI:
InChI=1S/C10H8O4/c1-13-10-7(11)4-2-6-3-5-8(12)14-9(6)10/h2-5,11H,1H3

InChIKey:
HAQWEMHXSIRYBE-UHFFFAOYSA-N

DeepSMILES:
COccO)cccc6oc=O)cc6

Functional groups:
c=O, cO, 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

ClassyFire Subclass: Hydroxycoumarins

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Simple coumarins

NP-Likeness score: 1.644

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Chemical structure download