Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018235

Phytochemical name: 4-Hexen-1-OL

Synonymous chemical names:
4-Hexen-1-OL

External chemical identifiers:
CID:CID_641248, ZINC:ZINC000001601235, FDASRS:ZHB2532C2H, SureChEMBL:SCHEMBL98125, Molport-003-928-362

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Chemical structure information

SMILES:
C/C=C/CCCO

InChI:
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2+

InChIKey:
VTIODUHBZHNXFP-NSCUHMNNSA-N

DeepSMILES:
C/C=C/CCCO

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: 2.42

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Chemical structure download