9H-Carbazole-3-carboxylic acid

Details

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Internal ID 1920b6ae-3598-40d4-9ceb-a36b9005eade
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
IUPAC Name 9H-carbazole-3-carboxylic acid
SMILES (Canonical) C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)C(=O)O
SMILES (Isomeric) C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)C(=O)O
InChI InChI=1S/C13H9NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H,(H,15,16)
InChI Key UZRJWXGXZKPSJO-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C13H9NO2
Molecular Weight 211.22 g/mol
Exact Mass 211.063328530 g/mol
Topological Polar Surface Area (TPSA) 53.10 Ų
XlogP 3.20

Synonyms

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51035-17-7
CARBAZOLE-3-CARBOXYLIC ACID
MFCD03152409
9H-CARBAZOLE-3-CARBOXYLICACID
6-carbazolecarboxylic acid
Oprea1_332226
SCHEMBL70283
AF-399/40971738
AML0032
DTXSID30389976
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 9H-Carbazole-3-carboxylic acid

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 94.15% 91.11%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 93.96% 94.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.81% 95.56%
CHEMBL2535 P11166 Glucose transporter 89.41% 98.75%
CHEMBL3192 Q9BY41 Histone deacetylase 8 88.01% 93.99%
CHEMBL1255126 O15151 Protein Mdm4 86.68% 90.20%
CHEMBL1781 P11387 DNA topoisomerase I 84.51% 97.00%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 82.97% 94.08%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 82.01% 89.44%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.56% 86.33%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 81.35% 96.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.34% 99.23%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 81.06% 91.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.32% 89.00%
CHEMBL4208 P20618 Proteasome component C5 80.31% 90.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.07% 99.17%

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 lansium
Murraya koenigii

Cross-Links

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PubChem 3152023
LOTUS LTS0099226
wikiData Q82186299