Summary

IMPPAT Phytochemical identifier: IMPHY013944

Phytochemical name: 1-methoxy-9H-carbazole-3-carboxylic acid

Synonymous chemical names:
mukoeic acid

External chemical identifiers:
CID:375142, ChEMBL:CHEMBL498081

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Chemical structure information

SMILES:
COc1cc(cc2c1[nH]c1c2cccc1)C(=O)O

InChI:
InChI=1S/C14H11NO3/c1-18-12-7-8(14(16)17)6-10-9-4-2-3-5-11(9)15-13(10)12/h2-7,15H,1H3,(H,16,17)

InChIKey:
VZOALRHIINZPKX-UHFFFAOYSA-N

DeepSMILES:
COcccccc6[nH]cc5cccc6))))))))))C=O)O

Functional groups:
cC(=O)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: 0.382

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Chemical structure download