Mukonine

Details

• Internal ID: 6b626593-5d8c-4a83-b98e-a61f42d00329
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
• IUPAC Name: methyl 1-methoxy-9H-carbazole-3-carboxylate
• SMILES (Canonical): COC1=CC(=CC2=C1NC3=CC=CC=C32)C(=O)OC
• SMILES (Isomeric): COC1=CC(=CC2=C1NC3=CC=CC=C32)C(=O)OC
• InChI: InChI=1S/C15H13NO3/c1-18-13-8-9(15(17)19-2)7-11-10-5-3-4-6-12(10)16-14(11)13/h3-8,16H,1-2H3
• InChI Key: GIKICDROPGNERQ-UHFFFAOYSA-N
• Popularity: 15 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₃NO₃
• Molecular Weight: 255.27 g/mol
• Exact Mass: 255.08954328 g/mol
• Topological Polar Surface Area (TPSA): 51.30 Ų
• XlogP: 3.20

Synonyms

• methyl 1-methoxy-9H-carbazole-3-carboxylate
• 23523-94-6
• 9H-Carbazole-3-carboxylic acid, 1-methoxy-, methyl ester
• CHEMBL236143
• SCHEMBL17817163
• CHEBI:173804
• GIKICDROPGNERQ-UHFFFAOYSA-N
• DTXSID201263982

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.61%	91.11%
CHEMBL2535	P11166	Glucose transporter	94.55%	98.75%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.10%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.67%	99.17%
CHEMBL4208	P20618	Proteasome component C5	86.39%	90.00%
CHEMBL1255126	O15151	Protein Mdm4	85.38%	90.20%
CHEMBL2581	P07339	Cathepsin D	84.39%	98.95%
CHEMBL213	P08588	Beta-1 adrenergic receptor	84.19%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.27%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.21%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.21%	95.56%
CHEMBL1287628	Q9Y5S8	NADPH oxidase 1	82.72%	95.48%
CHEMBL2095172	P14867	GABA-A receptor; alpha-1/beta-2/gamma-2	81.83%	92.67%
CHEMBL2002	P12268	Inosine-5'-monophosphate dehydrogenase 2	81.31%	98.21%

Plants that contains it

• Clausena excavata
• Murraya koenigii

Cross-Links

• PubChem: 5319913
• NPASS: NPC39500
• ChEMBL: CHEMBL236143
• LOTUS: LTS0273105
• wikiData: Q105009067