Summary

IMPPAT Phytochemical identifier: IMPHY013875

Phytochemical name: 2-(1-Hydroxyethyl)naphtho(2,3-b)furan-4,9-dione

Synonymous chemical names:
2-(1-hydroxyethyl)-naphtho[2,3-b] furan-4,9-dione, 2-(1-hydroxyethyl)naphtho[2,3-b]-furan-4,9-dione, 2-(1-hydroxyethyl)naphthol[2,3-b]furan-4,9-dione, 2-(1-hydroxyethylnaphtho[2,3-b]furan-4,9-dione

External chemical identifiers:
CID:150068, ChEMBL:CHEMBL294323, SureChEMBL:SCHEMBL1887185

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Chemical structure information

SMILES:
CC(c1cc2c(o1)C(=O)c1c(C2=O)cccc1)O

InChI:
InChI=1S/C14H10O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-7,15H,1H3

InChIKey:
SAXKEWRSGLPYPB-UHFFFAOYSA-N

DeepSMILES:
CCcccco5)C=O)ccC6=O))cccc6)))))))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C(=O)c2occc21

Scaffold Graph/Node level:
OC1C2CCCCC2C(O)C2OCCC12

Scaffold Graph level:
CC1C2CCCCC2C(C)C2CCCC12

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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: 1.25

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Chemical structure download