Carbazoquinocin D

Details

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Internal ID 25b2d0dd-20b1-40a1-979a-d27bab78bc74
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
IUPAC Name 2-methyl-1-[(5S)-5-methylheptyl]-9H-carbazole-3,4-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C21H25NO2/c1-4-13(2)9-5-6-10-15-14(3)20(23)21(24)18-16-11-7-8-12-17(16)22-19(15)18/h7-8,11-13,22H,4-6,9-10H2,1-3H3/t13-/m0/s1
InChI Key KDTAIOIWWSESBU-ZDUSSCGKSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C21H25NO2
Molecular Weight 323.40 g/mol
Exact Mass 323.188529040 g/mol
Topological Polar Surface Area (TPSA) 49.90 Ų
XlogP 5.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Carbazoquinocin D

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
CHEMBL2581 P07339 Cathepsin D 98.93% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.34% 95.56%
CHEMBL255 P29275 Adenosine A2b receptor 95.32% 98.59%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.66% 94.45%
CHEMBL3401 O75469 Pregnane X receptor 92.29% 94.73%
CHEMBL1937 Q92769 Histone deacetylase 2 91.42% 94.75%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 89.65% 85.94%
CHEMBL2885 P07451 Carbonic anhydrase III 88.58% 87.45%
CHEMBL3310 Q96DB2 Histone deacetylase 11 88.52% 88.56%
CHEMBL3192 Q9BY41 Histone deacetylase 8 88.38% 93.99%
CHEMBL1907 P15144 Aminopeptidase N 87.34% 93.31%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.18% 99.23%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.12% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.84% 89.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.52% 96.09%
CHEMBL5103 Q969S8 Histone deacetylase 10 85.42% 90.08%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.92% 93.56%
CHEMBL240 Q12809 HERG 83.76% 89.76%
CHEMBL1781 P11387 DNA topoisomerase I 83.66% 97.00%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 82.96% 91.71%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 82.54% 96.47%
CHEMBL2535 P11166 Glucose transporter 81.98% 98.75%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 80.85% 97.21%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 10711057
LOTUS LTS0052373
wikiData Q105139378