Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003435

Phytochemical name: trans-3-Hexen-1-ol

Synonymous chemical names:
trans-hex-3-en-1-ol, (e)-3-hexen-1-o1, trans-3-hexen-1-ol, (e)-3-hexen-1-ol, (e)-hex-3-en-1-ol, (e)-3-hexen-l-ol

External chemical identifiers:
CID:CID_5284503, ChEMBL:CHEMBL3184538, ChEBI:CHEBI:147326, ZINC:ZINC000001531144, FDASRS:4E0NFR5B3U, SureChEMBL:SCHEMBL96295, MolPort-001-792-033

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Chemical structure information

SMILES:
OCC/C=C/CC

InChI:
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+

InChIKey:
UFLHIIWVXFIJGU-ONEGZZNKSA-N

DeepSMILES:
OCC/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: 2.57

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Chemical structure download