Summary

IMPPAT Phytochemical identifier: IMPHY009002

Phytochemical name: Picrasidine L

Synonymous chemical names:
picrasidine l

External chemical identifiers:
CID:5324104, ChEMBL:CHEMBL3400663

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Chemical structure information

SMILES:
O=c1cc2-c3n(c1=O)c1ccccc1c3ccn2C

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

InChIKey:
YIFMSNBQADOPBX-UHFFFAOYSA-N

DeepSMILES:
O=ccc-cnc6=O))cccccc6c9ccn%13C

Functional groups:
c=O, cn(c)C, cn(c)c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc2[nH]ccc3c-2n(c1=O)c1ccccc31

Scaffold Graph/Node level:
OC1CC2NCCC3C4CCCCC4N(C1O)C23

Scaffold Graph level:
CC1CC2CCCC3C4CCCCC4C(C1C)C23

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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: -0.015

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Chemical structure download