Summary

IMPPAT Phytochemical identifier: IMPHY014156

Phytochemical name: 3-Methyl-9H-carbazole-9-carbaldehyde

Synonymous chemical names:
9-formyl-3-methylcarbazole

External chemical identifiers:
CID:10058925, ZINC:ZINC000014590817

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Chemical structure information

SMILES:
O=Cn1c2ccc(cc2c2c1cccc2)C

InChI:
InChI=1S/C14H11NO/c1-10-6-7-14-12(8-10)11-4-2-3-5-13(11)15(14)9-16/h2-9H,1H3

InChIKey:
ODQBPNZNDIOBFN-UHFFFAOYSA-N

DeepSMILES:
O=Cncccccc6cc9cccc6))))))))C

Functional groups:
cn(c)C=O

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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: -0.5

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Chemical structure download