Summary

IMPPAT Phytochemical identifier: IMPHY012992

Phytochemical name: 2-Methoxycanthin-6-one

Synonymous chemical names:
2-methoxy-canthin-6-one, 2-methoxycanthin-6-one

External chemical identifiers:
CID:10106139, ChEBI:174291, ZINC:ZINC000014445178

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Chemical structure information

SMILES:
COc1nc2ccc(=O)n3c2c(c1)c1ccccc31

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

InChIKey:
CDWAXMGQLZGHDU-UHFFFAOYSA-N

DeepSMILES:
COcncccc=O)nc6cc%10)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: -0.184

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Chemical structure download