Summary

IMPPAT Phytochemical identifier: IMPHY011510

Phytochemical name: (3E,5Z)-octa-3,5-dien-2-one

Synonymous chemical names:
(e,z)-octa-3,5-dien-2-one

External chemical identifiers:
CID:6427789

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Chemical structure information

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

InChI:
InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4-,7-6+

InChIKey:
LWRKMRFJEUFXIB-SCFJQAPRSA-N

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

Functional groups:
C/C=CC=CC(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: 2.104

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Chemical structure download