Summary

IMPPAT Phytochemical identifier: IMPHY006961

Phytochemical name: Allyl alcohol

Synonymous chemical names:
2-propen-1-ol, allyl alcohol, allylalcohol

External chemical identifiers:
CID:7858, ChEMBL:CHEMBL234926, ChEBI:16605, ZINC:ZINC000000901213, FDASRS:3W678R12M0, SureChEMBL:SCHEMBL3782, MolPort-001-779-684

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Chemical structure information

SMILES:
OCC=C

InChI:
InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2

InChIKey:
XXROGKLTLUQVRX-UHFFFAOYSA-N

DeepSMILES:
OCC=C

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: 1.454

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Chemical structure download