Summary

IMPPAT Phytochemical identifier: IMPHY010318

Phytochemical name: Geranyl propionate

Synonymous chemical names:
geranyl propanoate, geranyl propionate, geranylpropionate

External chemical identifiers:
CID:5355853, ZINC:ZINC000001677808, FDASRS:U9F1RPB24G, SureChEMBL:SCHEMBL356536, MolPort-003-912-442

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Chemical structure information

SMILES:
CCC(=O)OC/C=C(/CCC=C(C)C)C

InChI:
InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+

InChIKey:
BYCHQEILESTMQU-FMIVXFBMSA-N

DeepSMILES:
CCC=O)OC/C=C/CCC=CC)C)))))C

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

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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: Fatty acids, Terpenoids

NP Classifier Superclass: Monoterpenoids, Fatty esters

NP Classifier Class: Acyclic monoterpenoids, Wax monoesters

NP-Likeness score: 1.983

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Chemical structure download