Summary

IMPPAT Phytochemical identifier: IMPHY001835

Phytochemical name: Perloline

Synonymous chemical names:
perloline

External chemical identifiers:
CID:115025

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Chemical structure information

SMILES:
COc1cc(ccc1OC)[n+]1cc2c(=O)[nH]ccc2c2c1cccc2

InChI:
InChI=1S/C20H16N2O3/c1-24-18-8-7-13(11-19(18)25-2)22-12-16-14(9-10-21-20(16)23)15-5-3-4-6-17(15)22/h3-12H,1-2H3/p+1

InChIKey:
OWAVOYPOZCUWDT-UHFFFAOYSA-O

DeepSMILES:
COcccccc6OC)))))[n+]ccc=O)[nH]ccc6cc%10cccc6

Functional groups:
c-[n+](c)c, c=O, cOC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1[nH]ccc2c1c[n+](-c1ccccc1)c1ccccc21

Scaffold Graph/Node level:
OC1NCCC2C1CN(C1CCCCC1)C1CCCCC21

Scaffold Graph level:
CC1CCCC2C1CC(C1CCCCC1)C1CCCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Phenylquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: -0.008

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Chemical structure download