Summary

IMPPAT Phytochemical identifier: IMPHY012913

Phytochemical name: (Z)-1,5-Octadien-3-one

Synonymous chemical names:
(z)-1,5-octadien-3-one

External chemical identifiers:
CID:6429343, FDASRS:5224B73P1O, SureChEMBL:SCHEMBL1116438

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Chemical structure information

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

InChI:
InChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h4-6H,2-3,7H2,1H3/b6-5-

InChIKey:
VWYBQOFZVSNDAW-WAYWQWQTSA-N

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

Functional groups:
C/C=CC, C=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: 1.888

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Chemical structure download