Summary

IMPPAT Phytochemical identifier: IMPHY015901

Phytochemical name: Prenyl acetate

Synonymous chemical names:
3-methyl-2-buten-1-yl,acetate, prenyl acetate

External chemical identifiers:
CID:14489, ChEMBL:CHEMBL3560443, ChEBI:173486, ZINC:ZINC000002039792, FDASRS:I7KOV03HGS, SureChEMBL:SCHEMBL113776, MolPort-003-960-198

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Chemical structure information

SMILES:
CC(=O)OCC=C(C)C

InChI:
InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3

InChIKey:
XXIKYCPRDXIMQM-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCC=CC)C

Functional groups:
CC=C(C)C, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Meroterpenoids, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Prenyl quinone meroterpenoids

NP-Likeness score: 2.034

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Chemical structure download