Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012910

Phytochemical name: cis-5-Octen-1-ol

Synonymous chemical names:
oct-5(z)-en-1-ol

External chemical identifiers:
CID:CID_5352837, ChEMBL:CHEMBL3184730, ChEBI:CHEBI:168644, ZINC:ZINC000005225126, FDASRS:JR85B4MH49, SureChEMBL:SCHEMBL466612, MolPort-003-960-163

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Chemical structure information

SMILES:
OCCCC/C=C\CC

InChI:
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h3-4,9H,2,5-8H2,1H3/b4-3-

InChIKey:
VDHRTASWKDTLER-ARJAWSKDSA-N

DeepSMILES:
OCCCC/C=C\CC

Functional groups:
CO, C/C=C\C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 2.257

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Chemical structure download