Summary

IMPPAT Phytochemical identifier: IMPHY013106

Phytochemical name: Benzophenanthridine

Synonymous chemical names:
benzophenanthridine

External chemical identifiers:
CID:12407248, SureChEMBL:SCHEMBL159417

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Chemical structure information

SMILES:
c1ccc2c(c1)ccc1c2c2ccccc2nc1

InChI:
InChI=1S/C17H11N/c1-2-6-14-12(5-1)9-10-13-11-18-16-8-4-3-7-15(16)17(13)14/h1-11H

InChIKey:
OWUNMSGLMUPGEZ-UHFFFAOYSA-N

DeepSMILES:
cccccc6)cccc6cccccc6nc%10

Functional groups:
cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)ccc1cnc3ccccc3c12

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CNC3CCCCC3C12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCC3CCCCC3C12

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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: -0.32

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Chemical structure download