2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid

Details

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Internal ID 19acaa10-2b85-46e3-9426-6ea9c9bc469a
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
IUPAC Name 2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
SMILES (Canonical) C1CC2=C(CC1C(=O)O)C3=CC=CC=C3N2
SMILES (Isomeric) C1CC2=C(CC1C(=O)O)C3=CC=CC=C3N2
InChI InChI=1S/C13H13NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-4,8,14H,5-7H2,(H,15,16)
InChI Key CGJLAUQMHSAAMY-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C13H13NO2
Molecular Weight 215.25 g/mol
Exact Mass 215.094628657 g/mol
Topological Polar Surface Area (TPSA) 53.10 Ų
XlogP 2.30

Synonyms

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26088-66-4
MFCD12547106
1H-Carbazole-3-carboxylic acid, 2,3,4,9-tetrahydro-
1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
SCHEMBL2309545
CGJLAUQMHSAAMY-UHFFFAOYSA-N
BBA08866
AKOS005257415
4-tetrahydrocarbazole-3-carboxylic acid
BS-22140
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2,3,4,9-tetrahydro-1H-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 97.37% 91.11%
CHEMBL216 P11229 Muscarinic acetylcholine receptor M1 94.29% 94.23%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.74% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 92.25% 91.49%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 90.67% 94.62%
CHEMBL2581 P07339 Cathepsin D 90.06% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.00% 96.09%
CHEMBL2535 P11166 Glucose transporter 88.95% 98.75%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.49% 97.09%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 87.00% 94.08%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.66% 94.45%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.41% 99.23%
CHEMBL217 P14416 Dopamine D2 receptor 86.41% 95.62%
CHEMBL213 P08588 Beta-1 adrenergic receptor 86.21% 95.56%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 84.04% 85.94%
CHEMBL3310 Q96DB2 Histone deacetylase 11 81.75% 88.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.56% 89.00%
CHEMBL5028 O14672 ADAM10 81.04% 97.50%
CHEMBL3155 P34969 Serotonin 7 (5-HT7) receptor 80.23% 90.71%

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.
Taraxacum mongolicum

Cross-Links

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PubChem 13491214
LOTUS LTS0197696
wikiData Q104957757