5,15-Dihydroxy-21,22,23,24-tetrathia-3,13-diazaheptacyclo[14.4.2.26,11.01,13.03,11.04,9.014,19]tetracosane-2,8,12,18-tetrone
| Internal ID | 1db0b6bf-8334-40f4-9a8b-6d2318f27425 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 5,15-dihydroxy-21,22,23,24-tetrathia-3,13-diazaheptacyclo[14.4.2.26,11.01,13.03,11.04,9.014,19]tetracosane-2,8,12,18-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H18N2O6S4/c21-7-1-9-13(23)11-5(7)3-17(29-27-9)15(25)20-12-6-4-18(20,16(26)19(11)17)30-28-10(14(12)24)2-8(6)22/h5-6,9-14,23-24H,1-4H2 |
| InChI Key | JPUPMIVLDVVGIE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H18N2O6S4 |
| Molecular Weight | 486.60 g/mol |
| Exact Mass | 486.00477099 g/mol |
| Topological Polar Surface Area (TPSA) | 216.00 Ų |
| XlogP | -1.90 |
| There are no found synonyms. |
![2D Structure of 5,15-Dihydroxy-21,22,23,24-tetrathia-3,13-diazaheptacyclo[14.4.2.26,11.01,13.03,11.04,9.014,19]tetracosane-2,8,12,18-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/4219e170-82cc-11ee-9e12-d562f9e376fa.jpg "2D Structure of 5,15-Dihydroxy-21,22,23,24-tetrathia-3,13-diazaheptacyclo[14.4.2.26,11.01,13.03,11.04,9.014,19]tetracosane-2,8,12,18-tetrone")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.41% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.11% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.94% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.18% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.91% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.68% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.60% | 94.45% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.44% | 95.62% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 83.17% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.99% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.98% | 99.23% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.91% | 96.77% |
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 | 74075862 |
| LOTUS | LTS0215334 |
| wikiData | Q104169767 |