Summary

IMPPAT Phytochemical identifier: IMPHY015160

Phytochemical name: 1,3,6-Octatriene

Synonymous chemical names:
1,3,6-octatriene, 1.3.6-octatriene

External chemical identifiers:
CID:5367382, SureChEMBL:SCHEMBL21497274

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Chemical structure information

SMILES:
C/C=C/C/C=C/C=C

InChI:
InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-7H,1,8H2,2H3/b6-4+,7-5+

InChIKey:
PKHBEGZTQNOZLP-YDFGWWAZSA-N

DeepSMILES:
C/C=C/C/C=C/C=C

Functional groups:
C/C=C/C, C=C/C=C/C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Olefins

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP-Likeness score: 2.696

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Chemical structure download