Summary

IMPPAT Phytochemical identifier: IMPHY005936

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

Synonymous chemical names:
(2e)-nonen-1-al, (e)-2-nonen-1-ol, trans-2-nonen-1-ol

External chemical identifiers:
CID:5364941, ChEMBL:CHEMBL2228466, ChEBI:142604, ZINC:ZINC000001850444, FDASRS:164F9RI0BJ, SureChEMBL:SCHEMBL295668, MolPort-006-126-285

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Chemical structure information

SMILES:
CCCCCC/C=C/CO

InChI:
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-6,9H2,1H3/b8-7+

InChIKey:
NSSALFVIQPAIQK-BQYQJAHWSA-N

DeepSMILES:
CCCCCC/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: 2.199

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Chemical structure download