Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007742

Phytochemical name: 1,3,7-Octatriene

Synonymous chemical names:
1,3,7-octatriene

External chemical identifiers:
CID:CID_5365557, ZINC:ZINC000002521607, SureChEMBL:SCHEMBL138123

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Chemical structure information

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

InChI:
InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-5,7H,1-2,6,8H2/b7-5+

InChIKey:
ZTJHDEXGCKAXRZ-FNORWQNLSA-N

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

Functional groups:
C=CC, 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: 2.76

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Chemical structure download