5-Chlorosclerotiamide
| Internal ID | 226659d5-f8a1-487f-b213-de17b3b2e33a |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | (1'R,3R,7'S,9'S,12'S)-5-chloro-12'-hydroxy-7,7,10',10'-tetramethylspiro[1H-pyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H28ClN3O5/c1-22(2)8-6-12-16-13(10-14(27)17(12)35-22)25(20(33)28-16)18(31)26-15(23(25,3)4)11-24(19(32)29-26)7-5-9-30(24)21(26)34/h6,8,10,15,18,31H,5,7,9,11H2,1-4H3,(H,28,33)(H,29,32)/t15-,18-,24-,25-,26+/m0/s1 |
| InChI Key | TVZRVAVYSDCSKC-ZUTUFOHQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H28ClN3O5 |
| Molecular Weight | 498.00 g/mol |
| Exact Mass | 497.1717487 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 1.80 |
| CHEMBL2375803 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.51% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.66% | 98.95% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 96.24% | 95.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.18% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.05% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.19% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.94% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.86% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.68% | 86.33% |
| CHEMBL238 | Q01959 | Dopamine transporter | 90.14% | 95.88% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 89.36% | 92.29% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 88.95% | 99.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.53% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.43% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.83% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.48% | 97.25% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 85.33% | 95.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.03% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.74% | 85.14% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.73% | 96.61% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.66% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.29% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.82% | 82.69% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.59% | 91.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.35% | 94.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.82% | 90.24% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.78% | 97.50% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.43% | 98.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.36% | 96.90% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.06% | 97.14% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 71712814 |
| LOTUS | LTS0122341 |
| wikiData | Q77561362 |