Summary

IMPPAT Phytochemical identifier: IMPHY016449

Phytochemical name: 4,7-Dimethoxy-2-methyl-2,3-dihydro-1H-inden-1-one

Synonymous chemical names:
4,7-dimethoxy-2-methylindan-1-one

External chemical identifiers:
CID:609857, ChEMBL:CHEMBL423419, SureChEMBL:SCHEMBL11869676

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Chemical structure information

SMILES:
COc1ccc(c2c1C(=O)C(C2)C)OC

InChI:
InChI=1S/C12H14O3/c1-7-6-8-9(14-2)4-5-10(15-3)11(8)12(7)13/h4-5,7H,6H2,1-3H3

InChIKey:
PJJMKVJLFRGNKC-UHFFFAOYSA-N

DeepSMILES:
COcccccc6C=O)CC5)C)))))OC

Functional groups:
cC(C)=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCc2ccccc21

Scaffold Graph/Node level:
OC1CCC2CCCCC12

Scaffold Graph level:
CC1CCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Indanes

ClassyFire Subclass: Indanones

NP Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 1.116

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Chemical structure download