Summary

IMPPAT Phytochemical identifier: IMPHY009682

Phytochemical name: 3-Caren-5-one

Synonymous chemical names:
car-3-en-5-one

External chemical identifiers:
CID:13502875, SureChEMBL:SCHEMBL10505735

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Chemical structure information

SMILES:
CC1=CC(=O)C2C(C1)C2(C)C

InChI:
InChI=1S/C10H14O/c1-6-4-7-9(8(11)5-6)10(7,2)3/h5,7,9H,4H2,1-3H3

InChIKey:
WDILKLCBAXJFIA-UHFFFAOYSA-N

DeepSMILES:
CC=CC=O)CCC6)C3C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCC2CC12

Scaffold Graph/Node level:
OC1CCCC2CC12

Scaffold Graph level:
CC1CCCC2CC12

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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: 2.314

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Chemical structure download