Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007202

Phytochemical name: Furan, 2,2'-methylenebis-

Synonymous chemical names:
2-furfurylfuran

External chemical identifiers:
CID:CID_70972, FDASRS:C79T9U9658, SureChEMBL:SCHEMBL1404275, MolPort-001-782-151

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Chemical structure information

SMILES:
c1coc(c1)Cc1ccco1

InChI:
InChI=1S/C9H8O2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h1-6H,7H2

InChIKey:
YHGNXEIQSHICNK-UHFFFAOYSA-N

DeepSMILES:
ccocc5)Ccccco5

Functional groups:
coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1coc(Cc2ccco2)c1

Scaffold Graph/Node level:
C1COC(CC2CCCO2)C1

Scaffold Graph level:
C1CCC(CC2CCCC2)C1

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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: -0.603

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Chemical structure download