Summary

IMPPAT Phytochemical identifier: IMPHY001971

Phytochemical name: 1-Penten-3-OL

Synonymous chemical names:
1-penten-3-ol, 1-penten-3-olb, 1-pentene-3-ol, pent- 1-en-3-ol, pent-1 en-3-ol, pent-1-en-3-01, pent-1-en-3-ol

External chemical identifiers:
CID:12020, ChEMBL:CHEMBL2269086, ChEBI:89944, FDASRS:DYU6Q1758M, SureChEMBL:SCHEMBL314730, MolPort-001-792-065

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Chemical structure information

SMILES:
CCC(C=C)O

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

InChIKey:
VHVMXWZXFBOANQ-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: 2.021

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Chemical structure download