Summary

IMPPAT Phytochemical identifier: IMPHY016439

Phytochemical name: 4-Octen-3-one

Synonymous chemical names:
4-octen-3-one, 4-octen-3one

External chemical identifiers:
CID:5369061, ChEBI:172026, FDASRS:0EN4GO563N, SureChEMBL:SCHEMBL160882

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Chemical structure information

SMILES:
CCC/C=C/C(=O)CC

InChI:
InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h6-7H,3-5H2,1-2H3/b7-6+

InChIKey:
JPTOCTSNXXKSSN-VOTSOKGWSA-N

DeepSMILES:
CCC/C=C/C=O)CC

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 1.518

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Chemical structure download