Summary

IMPPAT Phytochemical identifier: IMPHY003855

Phytochemical name: cis-2-Penten-1-ol

Synonymous chemical names:
(z)- pent-2-en-1-ol, (z)-2-penten-1-ol, (z)-2-pentenol, (z)-pent-2-en-1-ol, cis-2-penten-1-ol, cis-2-pentenol

External chemical identifiers:
CID:5364919, ChEMBL:CHEMBL2269088, ChEBI:145352, ZINC:ZINC000005224689, FDASRS:QNC2NB53MJ, SureChEMBL:SCHEMBL310061, MolPort-000-150-381

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Chemical structure information

SMILES:
CC/C=CCO

InChI:
InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3-

InChIKey:
BTSIZIIPFNVMHF-ARJAWSKDSA-N

DeepSMILES:
CC/C=CCO

Functional groups:
C/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: 2.605

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Chemical structure download