2-hydroxy-3-(1H-indol-3-yl)-14,20-dimethyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-triene-13,19-dione
| Internal ID | 8a8a7703-121d-48b4-a6d6-23a3ba9af2df |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | 2-hydroxy-3-(1H-indol-3-yl)-14,20-dimethyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-triene-13,19-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H20N4O3S4/c1-21-19(29)27-18-22(13-8-4-6-10-16(13)25-18,14-11-24-15-9-5-3-7-12(14)15)17(28)23(27,20(30)26(21)2)32-34-33-31-21/h3-11,17-18,24-25,28H,1-2H3 |
| InChI Key | LRILHDGEPRUUDR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H20N4O3S4 |
| Molecular Weight | 528.70 g/mol |
| Exact Mass | 528.04182521 g/mol |
| Topological Polar Surface Area (TPSA) | 190.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 2-hydroxy-3-(1H-indol-3-yl)-14,20-dimethyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-triene-13,19-dione](https://plantaedb.com/storage/docs/compounds/2023/11/30cd5ea0-86cc-11ee-ba61-3749bdf70573.jpg "2D Structure of 2-hydroxy-3-(1H-indol-3-yl)-14,20-dimethyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-triene-13,19-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 98.07% | 95.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.24% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.68% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.72% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.59% | 96.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 93.28% | 88.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.67% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 91.25% | 94.62% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 90.64% | 98.59% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 90.04% | 89.44% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.42% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.30% | 99.23% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 86.76% | 92.97% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.23% | 90.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.78% | 90.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 85.31% | 96.39% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.44% | 85.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.19% | 89.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 82.54% | 97.64% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.43% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.20% | 86.33% |
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.
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| There are no matching plants. |
| PubChem | 73022229 |
| LOTUS | LTS0111890 |
| wikiData | Q104171241 |