Summary
IMPPAT Phytochemical identifier: IMPHY007041
Phytochemical name: Furfural
Synonymous chemical names:2-furaldehyde, 2-furancarboxaldehyde, 2-furfural, furan-2-carbaldehyde, furfu ral, furfural, furfural*, furfuraldehyde, furfural⁄
External chemical identifiers:CID:7362, ChEMBL:CHEMBL189362, ChEBI:34768, ZINC:ZINC000003861345, FDASRS:DJ1HGI319P, SureChEMBL:SCHEMBL20439, MolPort-000-871-210
Chemical structure information
SMILES:
O=Cc1ccco1InChI:
InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4HInChIKey:
HYBBIBNJHNGZAN-UHFFFAOYSA-NDeepSMILES:
O=Ccccco5Functional groups:
cC=O, coc
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccoc1Scaffold Graph/Node level:
C1CCOC1Scaffold Graph level:
C1CCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic oxygen compoundsClassyFire Class: Organooxygen compounds
ClassyFire Subclass: Carbonyl compounds
NP Classifier Biosynthetic pathway: Polyketides
NP Classifier Superclass: Cyclic polyketides
NP Classifier Class: Furans
NP-Likeness score: -0.313
Chemical structure download