Summary

IMPPAT Phytochemical identifier: IMPHY001728

Phytochemical name: Nordamnacanthal

Synonymous chemical names:
nordamnacanthal

External chemical identifiers:
CID:160712, ChEMBL:CHEMBL2297225, SureChEMBL:SCHEMBL16227182

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Chemical structure information

SMILES:
O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1

InChI:
InChI=1S/C15H8O5/c16-6-10-11(17)5-9-12(15(10)20)14(19)8-4-2-1-3-7(8)13(9)18/h1-6,17,20H

InChIKey:
NSGZEHPFOUCUHD-UHFFFAOYSA-N

DeepSMILES:
O=CccO)cccc6O))C=O)ccC6=O))cccc6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C(=O)c2ccccc21

Scaffold Graph/Node level:
OC1C2CCCCC2C(O)C2CCCCC12

Scaffold Graph level:
CC1C2CCCCC2C(C)C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Anthracenes

ClassyFire Subclass: Anthraquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: 1.376

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Chemical structure download