Summary

IMPPAT Phytochemical identifier: IMPHY011304

Phytochemical name: Pratorinine

Synonymous chemical names:
pratorinine

Chemical structure information

SMILES:
COc1cc2c(cc1O)c1cccc3c1n(c2=O)cc3

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

InChIKey:
BQBSEIUTJXPVJP-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O)))cccccc6nc%10=O))cc5

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