Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005544

Phytochemical name: 4-Methyl-3-penten-1-ol

Synonymous chemical names:
4-methylpent-3-en-1-01, 4-methyl-3-pentenol

External chemical identifiers:
CID:CID_136582, ChEBI:CHEBI:138388, ZINC:ZINC000002539466, SureChEMBL:SCHEMBL133427

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Chemical structure information

SMILES:
OCCC=C(C)C

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

InChIKey:
FKKLUOCEIANSFL-UHFFFAOYSA-N

DeepSMILES:
OCCC=CC)C

Functional groups:
CO, CC=C(C)C

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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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.689

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Chemical structure download