Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004129

Phytochemical name: cis-2-Hexen-1-ol

Synonymous chemical names:
(Z)-2-hexenol, (z)-2-hexen-1-ol

External chemical identifiers:
CID:CID_5324489, ZINC:ZINC000012358736, FDASRS:871TEL510E, SureChEMBL:SCHEMBL295023

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Chemical structure information

SMILES:
CCC/C=C\CO

InChI:
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4-

InChIKey:
ZCHHRLHTBGRGOT-PLNGDYQASA-N

DeepSMILES:
CCC/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: 2.424

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Chemical structure download