Summary

IMPPAT Phytochemical identifier: IMPHY003389

Phytochemical name: 2,6-dimethoxy-9H-carbazole-3-carbaldehyde

Synonymous chemical names:
glycozolidal

External chemical identifiers:
CID:182690, ChEMBL:CHEMBL2036045

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Chemical structure information

SMILES:
COc1ccc2c(c1)c1cc(C=O)c(cc1[nH]2)OC

InChI:
InChI=1S/C15H13NO3/c1-18-10-3-4-13-12(6-10)11-5-9(8-17)15(19-2)7-14(11)16-13/h3-8,16H,1-2H3

InChIKey:
WCKFRKXQABCDRE-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)cccC=O))ccc6[nH]9)))OC

Functional groups:
cC=O, 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: 0.257

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Chemical structure download