Summary

IMPPAT Phytochemical identifier: IMPHY005521

Phytochemical name: 1-Hexen-3-OL

Synonymous chemical names:
1-hexen-3-ol, hexen-3-ol

External chemical identifiers:
CID:20928, ChEMBL:CHEMBL2270634, ChEBI:173346, FDASRS:Q5O8U05965, SureChEMBL:SCHEMBL187270, MolPort-003-941-594

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Chemical structure information

SMILES:
CCCC(C=C)O

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

InChIKey:
BVOSSZSHBZQJOI-UHFFFAOYSA-N

DeepSMILES:
CCCCC=C))O

Functional groups:
C=CC, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 2.341

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Chemical structure download