Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID016919

Phytochemical name: Cordeauxione

Synonymous chemical names:
cordeauxione

External chemical identifiers:
CID:CID_136247467

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Chemical structure information

SMILES:
COC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)C(=O)C)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/h16-17,20H,1-3H3

InChIKey:
HDONWISMQRNHDA-UHFFFAOYSA-N

DeepSMILES:
COC=CO)C=O)ccC6=O))cO)ccc6O))C=O)C)))C

Functional groups:
COC1=C(O)C(=O)ccC1=O, cO, cC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)c2ccccc21

Scaffold Graph/Node level:
OC1CCC(O)C2CCCCC12

Scaffold Graph level:
CC1CCC(C)C2CCCCC12

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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: 1.852

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Chemical structure download