Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000233

Phytochemical name: Geranyl acetate

Synonymous chemical names:
geanyl acetate, geranyl acetate, geranylcetate, geraniol acetate, geranyl aoetate, geranyle acetate, geraniyl acetate, geranyl acetate., geranyl acetate, geranyyl-acetate, geranylacetate, geranyl-acetate, Geranyl acetate, geranyl acetate*, geraniol and its acetate

External chemical identifiers:
CID:CID_1549026, ChEMBL:CHEMBL1369384, ChEBI:CHEBI:5331, ZINC:ZINC000001531610, FDASRS:3W81YG7P9R, SureChEMBL:SCHEMBL56913, MolPort-003-855-596

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Chemical structure information

SMILES:
C/C(=C\COC(=O)C)/CCC=C(C)C

InChI:
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+

InChIKey:
HIGQPQRQIQDZMP-DHZHZOJOSA-N

DeepSMILES:
C/C=C\COC=O)C)))))/CCC=CC)C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.401

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Chemical structure download