Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000537

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

Synonymous chemical names:
(2)-3-hexenoi, cis-3-hexen-1-ol d, 3-hexen-1-ol, (z)-3-hexenoi, (z)-3-hexen-1-ol, leaf alcohol, 3-hexenol, cis-hex-3-en- 1-01, cis-3 hexenol, (z)-3hexenol, (z)- 3- hexenol, (z)-3-hexen-l-ol, cis-3-hexenol, cis-s-3-hexen-1-ol, (Z)-3-Hexenol, cis-hex-3en-1-01, (z)-3-hexen-1-olc, (z)-3-hexenol, (z)-3-hexen-l-o1, cis-hex-3-en-1-01, hex-3-en-1-ol, (z)-, cis-3-hexanol, (Z),3-hexenol, (Z)-3-hexenol, hexenol,cis-3-, cis-3-hexen-1-ol, (z)-3-hexenai, hex-3-en-1-ol, cis-3-Hexen-1-ol, (Z)-3-hexen-1-ol, (Z)-3-Hexen-1-ol, (z)-hex-3-en-1-ol

External chemical identifiers:
CID:CID_5281167, ChEMBL:CHEMBL2251452, ChEBI:CHEBI:28857, ZINC:ZINC000004658605, FDASRS:V14F8G75P4, SureChEMBL:SCHEMBL112920, MolPort-002-501-624

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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-ARJAWSKDSA-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