Summary

IMPPAT Phytochemical identifier: IMPHY009919

Phytochemical name: Cordeauxione

Synonymous chemical names:
cordeauxione

External chemical identifiers:
CID:71434853

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Chemical structure information

SMILES:
COC1=C(O)c2c(C(=O)C1=O)c(O)c(c(c2O)C)C(=O)C

InChI:
InChI=1S/C14H12O7/c1-4-6(5(2)15)10(17)8-7(9(4)16)12(19)14(21-3)13(20)11(8)18/h16-17,19H,1-3H3

InChIKey:
TUJOGQJERCFCGS-UHFFFAOYSA-N

DeepSMILES:
COC=CO)ccC=O)C6=O)))cO)ccc6O))C))C=O)C

Functional groups:
COC1=C(O)ccC(=O)C1=O, cC(C)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=Cc2ccccc2C1=O

Scaffold Graph/Node level:
OC1CCC2CCCCC2C1O

Scaffold Graph level:
CC1CCC2CCCCC2C1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

ClassyFire Subclass: Naphthoquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.605

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Chemical structure download