Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001918

Phytochemical name: Furfuryl alcohol

Synonymous chemical names:
furfuryl alcohol, Furfuryl alcohol, furfurylalcohol, furfurol, Furfurylalcohol, 2-furanmethanol⁄, 2-furanmethanol, 2-furfuryl alcohol, furfuryl alcohol, 2-Furfuryl alcohol

External chemical identifiers:
CID:CID_7361, ChEMBL:CHEMBL308187, ChEBI:CHEBI:207496, ZINC:ZINC000001648266, FDASRS:D582054MUH, SureChEMBL:SCHEMBL37326, MolPort-000-872-013

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Chemical structure information

SMILES:
OCc1ccco1

InChI:
InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2

InChIKey:
XPFVYQJUAUNWIW-UHFFFAOYSA-N

DeepSMILES:
OCcccco5

Functional groups:
CO, 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: -0.108

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Chemical structure download