Summary

IMPPAT Phytochemical identifier: IMPHY003064

Phytochemical name: 5-Methoxycanthin-6-one

Synonymous chemical names:
5-methoxycanthin-6-one

External chemical identifiers:
CID:259218, ChEMBL:CHEMBL508649, ChEBI:174289, FDASRS:VVM1A8LM35, SureChEMBL:SCHEMBL12762810, MolPort-039-338-738

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Chemical structure information

SMILES:
COc1cc2nccc3c2n(c1=O)c1ccccc31

InChI:
InChI=1S/C15H10N2O2/c1-19-13-8-11-14-10(6-7-16-11)9-4-2-3-5-12(9)17(14)15(13)18/h2-8H,1H3

InChIKey:
TXEFUSAHPIYZHD-UHFFFAOYSA-N

DeepSMILES:
COcccncccc6nc%10=O))cccccc96

Functional groups:
c=O, cOC, cn(c)c, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2nccc3c4ccccc4n1c23

Scaffold Graph/Node level:
OC1CCC2NCCC3C4CCCCC4N1C23

Scaffold Graph level:
CC1CCC2CCCC3C4CCCCC4C1C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Indolonaphthyridine alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: 0.064

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Chemical structure download