Summary

IMPPAT Phytochemical identifier: IMPHY017036

Phytochemical name: 2-Caren-4-one

Synonymous chemical names:
car-2-en-4-one

External chemical identifiers:
CID:12652913, SureChEMBL:SCHEMBL11358538

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Chemical structure information

SMILES:
O=C1CC2C(C=C1C)C2(C)C

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

InChIKey:
CTZWGIMYGKDLPH-UHFFFAOYSA-N

DeepSMILES:
O=CCCCC=C6C)))C3C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2CC2C1

Scaffold Graph/Node level:
OC1CCC2CC2C1

Scaffold Graph level:
CC1CCC2CC2C1

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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: Carane monoterpenoids

NP-Likeness score: 2.962

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Chemical structure download