Summary

IMPPAT Phytochemical identifier: IMPHY010149

Phytochemical name: Hymecromone

Synonymous chemical names:
7- hydroxy-4-methylcoumarin, 7-hydroxy-4-methyl coumarin, 7-hydroxy-4-methylcoumarin

External chemical identifiers:
CID:5280567, ChEMBL:CHEMBL12208, ChEBI:17224, ZINC:ZINC000000058121, FDASRS:3T5NG4Q468, SureChEMBL:SCHEMBL24150, MolPort-000-467-367

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Chemical structure information

SMILES:
Oc1ccc2c(c1)oc(=O)cc2C

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

InChIKey:
HSHNITRMYYLLCV-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)oc=O)cc6C

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: 0.431

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Chemical structure download