Summary

IMPPAT Phytochemical identifier: IMPHY000650

Phytochemical name: Tropone

Synonymous chemical names:
(-)-tropone

External chemical identifiers:
CID:10881, ZINC:ZINC000002034873, FDASRS:CO48X7SUFH, SureChEMBL:SCHEMBL316824, MolPort-003-928-616

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Chemical structure information

SMILES:
O=c1cccccc1

InChI:
InChI=1S/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H

InChIKey:
QVWDCTQRORVHHT-UHFFFAOYSA-N

DeepSMILES:
O=ccccccc7

Functional groups:
c=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cccccc1

Scaffold Graph/Node level:
OC1CCCCCC1

Scaffold Graph level:
CC1CCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbon derivatives

ClassyFire Class: Tropones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.045

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Chemical structure download