Summary

IMPPAT Phytochemical identifier: IMPHY013813

Phytochemical name: 9H-Pyrido[2,3-b]indole

Synonymous chemical names:
carboline

External chemical identifiers:
CID:67486, ChEMBL:CHEMBL259556, ZINC:ZINC000011535889, FDASRS:274Z75I9BQ, SureChEMBL:SCHEMBL9145, MolPort-006-111-132

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Chemical structure information

SMILES:
c1ccc2c(c1)[nH]c1c2cccn1

InChI:
InChI=1S/C11H8N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h1-7H,(H,12,13)

InChIKey:
BPMFPOGUJAAYHL-UHFFFAOYSA-N

DeepSMILES:
cccccc6)[nH]cc5cccn6

Functional groups:
c[nH]c, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1ncccc12

Scaffold Graph/Node level:
C1CCC2C(C1)NC1NCCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Pyridoindoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: -0.592

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Chemical structure download