Summary

IMPPAT Phytochemical identifier: IMPHY017257

Phytochemical name: 7-Methoxy-1-indanone

Synonymous chemical names:
7-methoxy-1-indanone

External chemical identifiers:
CID:288143, ZINC:ZINC000001729850, SureChEMBL:SCHEMBL266254, MolPort-003-937-586

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Chemical structure information

SMILES:
COc1cccc2c1C(=O)CC2

InChI:
InChI=1S/C10H10O2/c1-12-9-4-2-3-7-5-6-8(11)10(7)9/h2-4H,5-6H2,1H3

InChIKey:
CZXBVBATQPHSSL-UHFFFAOYSA-N

DeepSMILES:
COcccccc6C=O)CC5

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-Likeness score: 0.648

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Chemical structure download