Summary

IMPPAT Phytochemical identifier: IMPHY014318

Phytochemical name: methyl 6-methoxy-9H-carbazole-3-carboxylate

Synonymous chemical names:
methyl 6-methoxycarbazole-3-carboxylate, methyl-6-methoxycarbazole-3-carboxylate

External chemical identifiers:
CID:14804151, ChEMBL:CHEMBL2036043, ChEBI:173806, ZINC:ZINC000014445259, SureChEMBL:SCHEMBL19331068

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Chemical structure information

SMILES:
COc1ccc2c(c1)c1cc(ccc1[nH]2)C(=O)OC

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

InChIKey:
ANFDUFMLLFNVTE-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)cccccc6[nH]9))))C=O)OC

Functional groups:
cC(=O)OC, 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: -0.164

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Chemical structure download