Summary

IMPPAT Phytochemical identifier: IMPHY016440

Phytochemical name: 4-Penten-2-OL

Synonymous chemical names:
4-penten-2-ol

External chemical identifiers:
CID:12247, SureChEMBL:SCHEMBL315363, MolPort-001-792-064

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Chemical structure information

SMILES:
CC(CC=C)O

InChI:
InChI=1S/C5H10O/c1-3-4-5(2)6/h3,5-6H,1,4H2,2H3

InChIKey:
ZHZCYWWNFQUZOR-UHFFFAOYSA-N

DeepSMILES:
CCCC=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: 1.634

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Chemical structure download