Summary

IMPPAT Phytochemical identifier: IMPHY017964

Phytochemical name: 5-Methoxy-2,2-dimethylindan-1-one

Synonymous chemical names:
5-methoxy-2,2-dimethylindan-1-one

Chemical structure information

SMILES:
COc1ccc2c(c1)CC(C2=O)(C)C

InChI:
InChI=1S/C12H14O2/c1-12(2)7-8-6-9(14-3)4-5-10(8)11(12)13/h4-6H,7H2,1-3H3

InChIKey:
ZENPNFPJVPODJW-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)CCC5=O))C)C

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: Terpenoids

NP-Likeness score: 0.663

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Chemical structure download