Summary

IMPPAT Phytochemical identifier: IMPHY009625

Phytochemical name: 5,5'-Oxybis(5-methylene-2-furaldehyde)

Synonymous chemical names:
5,5'-oxy-dimethylene-bis-(2-furaldehyde)

External chemical identifiers:
CID:12366272, ZINC:ZINC000004566165, SureChEMBL:SCHEMBL278333, MolPort-001-833-756

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Chemical structure information

SMILES:
O=Cc1ccc(o1)COCc1ccc(o1)C=O

InChI:
InChI=1S/C12H10O5/c13-5-9-1-3-11(16-9)7-15-8-12-4-2-10(6-14)17-12/h1-6H,7-8H2

InChIKey:
TZTWOBUHCLWLNK-UHFFFAOYSA-N

DeepSMILES:
O=Ccccco5)COCcccco5)C=O

Functional groups:
COC, cC=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1coc(COCc2ccco2)c1

Scaffold Graph/Node level:
C1COC(COCC2CCCO2)C1

Scaffold Graph level:
C1CCC(CCCC2CCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: Furans

NP-Likeness score: -0.141

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Chemical structure download