Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000660

Phytochemical name: Verbenone

Synonymous chemical names:
d-verbenone c, d-verbenone, 2-pinen-4-one, Verbenone, verbenone

External chemical identifiers:
CID:CID_29025, ChEBI:CHEBI:78315, SureChEMBL:SCHEMBL118161, MolPort-000-706-765

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Chemical structure information

SMILES:
CC1=CC(=O)C2CC1C2(C)C

InChI:
InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3

InChIKey:
DCSCXTJOXBUFGB-UHFFFAOYSA-N

DeepSMILES:
CC=CC=O)CCC6C4C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2CC1C2

Scaffold Graph/Node level:
OC1CCC2CC1C2

Scaffold Graph level:
CC1CCC2CC1C2

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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: Pinane monoterpenoids

NP-Likeness score: 2.858

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Chemical structure download