(1R,14S,19S)-15-thia-4,9,13-triazaheptacyclo[12.6.1.13,7.01,16.02,12.04,19.010,22]docosa-2,7,10(22),12,16-pentaene-11,18-dione
| Internal ID | 85ed3fd1-f79c-43ee-9aa3-a457a3a0b6f2 |
| Taxonomy | Organoheterocyclic compounds > Phenanthrolines |
| IUPAC Name | (1R,14S,19S)-15-thia-4,9,13-triazaheptacyclo[12.6.1.13,7.01,16.02,12.04,19.010,22]docosa-2,7,10(22),12,16-pentaene-11,18-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H13N3O2S/c22-9-3-10-18-4-8(9)21-2-1-7-6-19-14-12(7)16(21)13(18)15(17(14)23)20-11(5-18)24-10/h3,6,8,11,19H,1-2,4-5H2/t8-,11-,18-/m0/s1 |
| InChI Key | XPQKXHQWGMXAQU-XYVASLDOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H13N3O2S |
| Molecular Weight | 335.40 g/mol |
| Exact Mass | 335.07284784 g/mol |
| Topological Polar Surface Area (TPSA) | 90.80 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of (1R,14S,19S)-15-thia-4,9,13-triazaheptacyclo[12.6.1.13,7.01,16.02,12.04,19.010,22]docosa-2,7,10(22),12,16-pentaene-11,18-dione](https://plantaedb.com/storage/docs/compounds/2023/11/90ca0ab0-8764-11ee-bbe8-2b0801694d3e.jpg "2D Structure of (1R,14S,19S)-15-thia-4,9,13-triazaheptacyclo[12.6.1.13,7.01,16.02,12.04,19.010,22]docosa-2,7,10(22),12,16-pentaene-11,18-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.60% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.86% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.81% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.31% | 96.09% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 94.94% | 95.69% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.85% | 96.38% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.79% | 91.49% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 93.04% | 92.68% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 92.72% | 94.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.80% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.48% | 93.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.08% | 94.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.06% | 91.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.64% | 99.23% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 87.62% | 96.39% |
| CHEMBL1938212 | Q9UPP1 | Histone lysine demethylase PHF8 | 86.15% | 98.33% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.50% | 96.67% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 85.08% | 80.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.95% | 95.89% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.12% | 95.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.90% | 91.11% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.52% | 98.59% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.55% | 100.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.32% | 95.53% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.76% | 89.00% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 11724499 |
| LOTUS | LTS0208139 |
| wikiData | Q104400668 |