Summary

IMPPAT Phytochemical identifier: IMPHY015692

Phytochemical name: Furfuryl propionate

Synonymous chemical names:
furfuryl propanoate, furfuryl propionate

External chemical identifiers:
CID:61166, ChEBI:173660, ZINC:ZINC000001668232, FDASRS:EY0D04ABR5, SureChEMBL:SCHEMBL151021, MolPort-003-960-098

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Chemical structure information

SMILES:
CCC(=O)OCc1ccco1

InChI:
InChI=1S/C8H10O3/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3

InChIKey:
LGBXNZSSTFWRFS-UHFFFAOYSA-N

DeepSMILES:
CCC=O)OCcccco5

Functional groups:
COC(C)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: -0.72

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Chemical structure download