Summary

IMPPAT Phytochemical identifier: IMPHY011426

Phytochemical name: Pratorimine

Synonymous chemical names:
pratorimine

External chemical identifiers:
CID:181937, ChEMBL:CHEMBL4076568

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Chemical structure information

SMILES:
COc1cc2c(cc1O)c(=O)n1c3c2cccc3cc1

InChI:
InChI=1S/C16H11NO3/c1-20-14-8-11-10-4-2-3-9-5-6-17(15(9)10)16(19)12(11)7-13(14)18/h2-8,18H,1H3

InChIKey:
LAKWSSVAGFQTAY-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O)))c=O)ncc6cccc6cc9

Functional groups:
c=O, cO, cOC, cn(c)c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2c2cccc3ccn1c32

Scaffold Graph/Node level:
OC1C2CCCCC2C2CCCC3CCN1C32

Scaffold Graph level:
CC1C2CCCCC2C2CCCC3CCC1C32

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.462

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Chemical structure download