Summary

IMPPAT Phytochemical identifier: IMPHY009068

Phytochemical name: Picrasidine O

Synonymous chemical names:
picrasidine o

External chemical identifiers:
CID:5320558, ChEMBL:CHEMBL1700463

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Chemical structure information

SMILES:
COc1c2-c3c(ccn2C)c2c(n3c(=O)c1=O)cccc2

InChI:
InChI=1S/C16H12N2O3/c1-17-8-7-10-9-5-3-4-6-11(9)18-12(10)13(17)15(21-2)14(19)16(18)20/h3-8H,1-2H3

InChIKey:
HPAUUBGCMSMJQK-UHFFFAOYSA-N

DeepSMILES:
COcc-ccccn6C))))ccn5c=O)c9=O))))cccc6

Functional groups:
c=O, cOC, 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: Quinoline alkaloids

NP-Likeness score: 0.02

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Chemical structure download