Summary

IMPPAT Phytochemical identifier: IMPHY008554

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

Synonymous chemical names:
glycosinine

External chemical identifiers:
CID:6483032, ChEMBL:CHEMBL1088189, ZINC:ZINC000014445235

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Chemical structure information

SMILES:
O=Cc1cc2c(cc1OC)[nH]c1c2cccc1

InChI:
InChI=1S/C14H11NO2/c1-17-14-7-13-11(6-9(14)8-16)10-4-2-3-5-12(10)15-13/h2-8,15H,1H3

InChIKey:
SIUSRUNIJUFYPR-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6OC))))[nH]cc5cccc6

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: 0.416

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Chemical structure download