Summary

IMPPAT Phytochemical identifier: IMPHY015400

Phytochemical name: 5,7,8-Trimethyl-3,4-dihydrochromen-2-one

Synonymous chemical names:
5,7,8-trimethyl-dihydrocoumarin

External chemical identifiers:
CID:605390, SureChEMBL:SCHEMBL14026631

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Chemical structure information

SMILES:
O=C1CCc2c(O1)c(C)c(cc2C)C

InChI:
InChI=1S/C12H14O2/c1-7-6-8(2)10-4-5-11(13)14-12(10)9(7)3/h6H,4-5H2,1-3H3

InChIKey:
XJLGYANYHVVCHT-UHFFFAOYSA-N

DeepSMILES:
O=CCCccO6)cC)ccc6C)))C

Functional groups:
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: 3,4-dihydrocoumarins

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.706

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Chemical structure download