Summary

IMPPAT Phytochemical identifier: IMPHY015688

Phytochemical name: 2,4-Difurfurylfuran

Synonymous chemical names:
furfuryl,2,4-di, furan

External chemical identifiers:
CID:53423642, ChEBI:173652, FDASRS:6Z65LJV61M, SureChEMBL:SCHEMBL18339432

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Chemical structure information

SMILES:
c1coc(c1)Cc1occ(c1)Cc1ccco1

InChI:
InChI=1S/C14H12O3/c1-3-12(15-5-1)7-11-8-14(17-10-11)9-13-4-2-6-16-13/h1-6,8,10H,7,9H2

InChIKey:
MLLNFQCJOXJITQ-UHFFFAOYSA-N

DeepSMILES:
ccocc5)Ccoccc5)Ccccco5

Functional groups:
coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1coc(Cc2coc(Cc3ccco3)c2)c1

Scaffold Graph/Node level:
C1COC(CC2COC(CC3CCCO3)C2)C1

Scaffold Graph level:
C1CCC(CC2CCC(CC3CCCC3)C2)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: 4-pyrone derivatives, Furans

NP-Likeness score: 0.178

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Chemical structure download