Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007024

Phytochemical name: Carbazole

Synonymous chemical names:
carbazole

External chemical identifiers:
CID:CID_6854, ChEMBL:CHEMBL243580, ChEBI:CHEBI:27543, ZINC:ZINC000100009863, FDASRS:0P2197HHHN, SureChEMBL:SCHEMBL7650, MolPort-000-872-045

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Chemical structure information

SMILES:
c1ccc2c(c1)[nH]c1c2cccc1

InChI:
InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H

InChIKey:
UJOBWOGCFQCDNV-UHFFFAOYSA-N

DeepSMILES:
cccccc6)[nH]cc5cccc6

Functional groups:
c[nH]c

Link to spectral information:
MSBNK-Keio_Univ-KO002553, MSBNK-UFZ-UA000103, MSBNK-UFZ-UA000101, MSBNK-Keio_Univ-KO002556, MSBNK-Keio_Univ-KO002555, MSBNK-Keio_Univ-KO002554, MSBNK-Keio_Univ-KO002552, MSBNK-EPA-ENTACT_AGILENT000934, MSBNK-Keio_Univ-KO000449, MSBNK-Keio_Univ-KO000448, MSBNK-Keio_Univ-KO000447, MSBNK-Keio_Univ-KO000446, MSBNK-EPA-ENTACT_AGILENT000936, MSBNK-EPA-ENTACT_AGILENT000935, MSBNK-Keio_Univ-KO000450

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1ccccc12

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CCCCC12

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: Carbazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carbazole alkaloids

NP-Likeness score: 0.058

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Chemical structure download