Summary

IMPPAT Phytochemical identifier: IMPHY013558

Phytochemical name: (Z)-hex-3-en-1-ol;(Z)-hex-4-en-1-ol

Synonymous chemical names:
z-hex-3-en-1-ol

External chemical identifiers:
CID:88254595, SureChEMBL:SCHEMBL8145496

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Chemical structure information

SMILES:
OCC/C=CCC.C/C=CCCCO

InChI:
InChI=1S/2C6H12O/c2*1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3;2-3,7H,4-6H2,1H3/b4-3-;3-2-

InChIKey:
RKRUWQOCWAOLOL-DLEFDPBHSA-N

DeepSMILES:
OCC/C=CCC.C/C=CCCCO

Functional groups:
C/C=CC, 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: 2.034

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Chemical structure download