Summary

IMPPAT Phytochemical identifier: IMPHY008508

Phytochemical name: Furfuryl acetate

Synonymous chemical names:
furfuryl acetate

External chemical identifiers:
CID:12170, ChEMBL:CHEMBL1522321, ZINC:ZINC000000388413, FDASRS:3CJC9ALG3X, SureChEMBL:SCHEMBL190434, MolPort-001-769-749

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Chemical structure information

SMILES:
CC(=O)OCc1ccco1

InChI:
InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3

InChIKey:
CKOYRRWBOKMNRG-UHFFFAOYSA-N

DeepSMILES:
CC=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: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: Furans

NP-Likeness score: -0.325

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Chemical structure download