Summary

IMPPAT Phytochemical identifier: IMPHY017351

Phytochemical name: trans-2-Hepten-1-ol

Synonymous chemical names:
(2e)-hepten-1-ol, hepten-2-ol

External chemical identifiers:
CID:5318017, ChEMBL:CHEMBL2228464, ZINC:ZINC000001765531, FDASRS:Q989YFO10I, SureChEMBL:SCHEMBL329735

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Chemical structure information

SMILES:
CCCC/C=C/CO

InChI:
InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h5-6,8H,2-4,7H2,1H3/b6-5+

InChIKey:
ASFYPVGAALGVNR-AATRIKPKSA-N

DeepSMILES:
CCCC/C=C/CO

Functional groups:
C/C=C/C, 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: 2.526

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Chemical structure download