Summary

IMPPAT Phytochemical identifier: IMPHY005345

Phytochemical name: 1-Octen-3-OL

Synonymous chemical names:
1 -octen-3-ol, 1 aten-3-01, 1 octen-3-ol, 1- octen- 3ol, 1- octen-3-ol, 1-oct en-3- ol, 1-oct-3-ol, 1-octen 3 ol, 1-octen-3-0l, 1-octen-3-o1, 1-octen-3-ol, 1-octen-3-ol*, 1-octen-3ol, 1-octen3ol, 1-octene 3-ol, 1-octene-3-ol(amylvinylcarbinol), 1-octen– 3-ol, 1‐octen‐3‐ol, amyl-vinyl carbinol, i-octen-3-ol, l-octen-3-ol, locten-3ol, oct- 1 -en-3-ol, oct- 1-en-3-01, oct-1 -en-3-01, oct-1-en-3-01, oct-1-en-3-ol, octen-3-ol

External chemical identifiers:
CID:18827, ChEMBL:CHEMBL3183573, ChEBI:34118, FDASRS:WXB511GE38, SureChEMBL:SCHEMBL41968, MolPort-001-782-881

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Chemical structure information

SMILES:
CCCCCC(C=C)O

InChI:
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3

InChIKey:
VSMOENVRRABVKN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC=C))O

Functional groups:
C=CC, CO

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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: 2.081

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Chemical structure download