Summary

IMPPAT Phytochemical identifier: IMPHY009069

Phytochemical name: Picrasidine Q

Synonymous chemical names:
picrasidine q

External chemical identifiers:
CID:54714262, ChEMBL:CHEMBL2229716, MolPort-039-338-859

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Chemical structure information

SMILES:
COc1c(O)c2nccc3c2n(c1=O)c1ccccc31

InChI:
InChI=1S/C15H10N2O3/c1-20-14-13(18)11-12-9(6-7-16-11)8-4-2-3-5-10(8)17(12)15(14)19/h2-7,18H,1H3

InChIKey:
HJFNTSGIQCFHGP-UHFFFAOYSA-N

DeepSMILES:
COccO)cncccc6nc%10=O))cccccc96

Functional groups:
c=O, cO, 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: 0.377

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Chemical structure download