Summary

IMPPAT Phytochemical identifier: IMPHY012490

Phytochemical name: 11-Hydroxycanthin-6-one

Synonymous chemical names:
11-hydroxycanthin-6-one

External chemical identifiers:
CID:337601, ChEBI:165177

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Chemical structure information

SMILES:
O=c1cccc2c1c1cc[nH]c3c1n2c(=O)cc3

InChI:
InChI=1S/C14H8N2O2/c17-11-3-1-2-10-13(11)8-6-7-15-9-4-5-12(18)16(10)14(8)9/h1-7,15H

InChIKey:
IZNXKZBIIFOWPU-UHFFFAOYSA-N

DeepSMILES:
O=cccccc6ccc[nH]cc6n9c=O)cc6

Functional groups:
c=O, c[nH]c, cn(c)c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cccc2c1c1cc[nH]c3ccc(=O)n2c31

Scaffold Graph/Node level:
OC1CCCC2C1C1CCNC3CCC(O)N2C31

Scaffold Graph level:
CC1CCCC2C1C1CCCC3CCC(C)C2C31

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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: 0.351

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Chemical structure download