Summary

IMPPAT Phytochemical identifier: IMPHY014014

Phytochemical name: 9-Hydroxy-3-(hydroxymethyl)furo[3,2-b]naphtho[2,3-d]furan-5,10-dione

Synonymous chemical names:
9-hydroxy-3-hydroxymethylfuro[3,2-b]naphtho[2,3-d]-furan-5,10-dione

External chemical identifiers:
CID:641262, ZINC:ZINC000012153368

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Chemical structure information

SMILES:
OCc1coc2c1oc1c2C(=O)c2c(C1=O)cccc2O

InChI:
InChI=1S/C15H8O6/c16-4-6-5-20-15-10-12(19)9-7(2-1-3-8(9)17)11(18)14(10)21-13(6)15/h1-3,5,16-17H,4H2

InChIKey:
ZPHYXTATIAWVPS-UHFFFAOYSA-N

DeepSMILES:
OCccocc5occ5C=O)ccC6=O))cccc6O

Functional groups:
CO, cC(c)=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C(=O)c2c1oc1ccoc21

Scaffold Graph/Node level:
OC1C2CCCCC2C(O)C2C3OCCC3OC12

Scaffold Graph level:
CC1C2CCCCC2C(C)C2C3CCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthofurans

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.197

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Chemical structure download