Summary

IMPPAT Phytochemical identifier: IMPHY013884

Phytochemical name: 6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 10-methoxy-

Synonymous chemical names:
10-methoxycanthin-6-one(methylaervin)

External chemical identifiers:
CID:158928, ChEMBL:CHEMBL454057, ZINC:ZINC000013282481, SureChEMBL:SCHEMBL12762822

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Chemical structure information

SMILES:
COc1ccc2c(c1)c1ccnc3c1n2c(=O)cc3

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

InChIKey:
FDBMONUDUKGKGY-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)cccncc6n9c=O)cc6

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: 0.106

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Chemical structure download