Summary

IMPPAT Phytochemical identifier: IMPHY001623

Phytochemical name: 10-Hydroxycanthin-6-one

Synonymous chemical names:
aervine

External chemical identifiers:
CID:158929, ChEMBL:CHEMBL454311, ChEBI:66064, MolPort-039-338-444

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Chemical structure information

SMILES:
Oc1ccc2c(c1)c1ccnc3c1n2c(=O)cc3

InChI:
InChI=1S/C14H8N2O2/c17-8-1-3-12-10(7-8)9-5-6-15-11-2-4-13(18)16(12)14(9)11/h1-7,17H

InChIKey:
FZLISVGXWLVEPB-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)cccncc6n9c=O)cc6

Functional groups:
c=O, cO, 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: 0.56

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Chemical structure download