Mukonidine

Details

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Internal ID 4a7c96c9-ae1a-45e8-8dea-831ebe62af61
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
IUPAC Name methyl 2-hydroxy-9H-carbazole-3-carboxylate
SMILES (Canonical) COC(=O)C1=C(C=C2C(=C1)C3=CC=CC=C3N2)O
SMILES (Isomeric) COC(=O)C1=C(C=C2C(=C1)C3=CC=CC=C3N2)O
InChI InChI=1S/C14H11NO3/c1-18-14(17)10-6-9-8-4-2-3-5-11(8)15-12(9)7-13(10)16/h2-7,15-16H,1H3
InChI Key SJVKEEPWQLIYIJ-UHFFFAOYSA-N
Popularity 8 references in papers

Physical and Chemical Properties

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Molecular Formula C14H11NO3
Molecular Weight 241.24 g/mol
Exact Mass 241.07389321 g/mol
Topological Polar Surface Area (TPSA) 62.30 Ų
XlogP 3.40

Synonyms

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Methyl 2-hydroxy-9H-carbazole-3-carboxylate
24949-00-6
2-hydroxy-3-carbomethoxycarbazole
2B8J32PQ5T
SCHEMBL6052452
CHEMBL1088190
CHEBI:173737
SJVKEEPWQLIYIJ-UHFFFAOYSA-N
DTXSID601264194
Methyl-2-oxidanyl-9H-carbazole-3-carboxylate
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Mukonidine

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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 99.16% 91.11%
CHEMBL2535 P11166 Glucose transporter 93.72% 98.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.69% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.37% 94.45%
CHEMBL2581 P07339 Cathepsin D 91.84% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 88.16% 91.49%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.66% 95.56%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.14% 93.99%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 86.26% 92.67%
CHEMBL2002 P12268 Inosine-5'-monophosphate dehydrogenase 2 85.93% 98.21%
CHEMBL3401 O75469 Pregnane X receptor 84.28% 94.73%
CHEMBL4208 P20618 Proteasome component C5 84.23% 90.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.09% 94.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.00% 99.23%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.55% 93.03%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Clausena anisata
Clausena excavata

Cross-Links

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PubChem 10999153
LOTUS LTS0081674
wikiData Q104400815