Summary

IMPPAT Phytochemical identifier: IMPHY009773

Phytochemical name: 3-(Isopropyl)-6-methylcyclohex-2-en-1-one

Synonymous chemical names:
carvenone

External chemical identifiers:
CID:10363, SureChEMBL:SCHEMBL812087

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Chemical structure information

SMILES:
O=C1C=C(CCC1C)C(C)C

InChI:
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h6-8H,4-5H2,1-3H3

InChIKey:
RLYSXAZAJUMULG-UHFFFAOYSA-N

DeepSMILES:
O=CC=CCCC6C))))CC)C

Functional groups:
CC(=O)C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCCC1

Scaffold Graph/Node level:
OC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 2.103

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Chemical structure download