Summary

IMPPAT Phytochemical identifier: IMPHY005492

Phytochemical name: 3-Methyl-9H-carbazole

Synonymous chemical names:
3-methylcarbazole

External chemical identifiers:
CID:20746, ChEMBL:CHEMBL1173768, ZINC:ZINC000001869244, FDASRS:18UX66Z45K, SureChEMBL:SCHEMBL262221, MolPort-003-723-930

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Chemical structure information

SMILES:
Cc1ccc2c(c1)c1ccccc1[nH]2

InChI:
InChI=1S/C13H11N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3

InChIKey:
PHKYYUQQYARDIU-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)cccccc6[nH]9

Functional groups:
c[nH]c

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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: -0.166

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Chemical structure download