Summary

IMPPAT Phytochemical identifier: IMPHY014199

Phytochemical name: 2-methoxy-3-methyl-9H-carbazole

Synonymous chemical names:
2-methoxy-3-methylcarbazole

External chemical identifiers:
CID:11052947, ChEMBL:CHEMBL1501672, ChEBI:125206, SureChEMBL:SCHEMBL4143973

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Chemical structure information

SMILES:
COc1cc2[nH]c3c(c2cc1C)cccc3

InChI:
InChI=1S/C14H13NO/c1-9-7-11-10-5-3-4-6-12(10)15-13(11)8-14(9)16-2/h3-8,15H,1-2H3

InChIKey:
XYYYPIAQQFQTAN-UHFFFAOYSA-N

DeepSMILES:
COccc[nH]ccc5cc9C))))cccc6

Functional groups:
cOC, 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: 0.147

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Chemical structure download