Didethiodi(methylthio)acetylaranotin
| Internal ID | 740f6975-58f2-4777-a132-dc56aa809c20 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | [(1R,4S,5S,12R,15S,16S)-16-acetyloxy-1,12-bis(methylsulfanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.03,12.04,10.015,21]docosa-6,9,17,20-tetraen-5-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H26N2O8S2/c1-13(27)33-17-5-7-31-11-15-9-23(35-3)22(30)26-20-16(12-32-8-6-18(20)34-14(2)28)10-24(26,36-4)21(29)25(23)19(15)17/h5-8,11-12,17-20H,9-10H2,1-4H3/t17-,18-,19-,20-,23+,24+/m0/s1 |
| InChI Key | MNIWVYZRLOFLBX-KHTMQFLISA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C24H26N2O8S2 |
| Molecular Weight | 534.60 g/mol |
| Exact Mass | 534.11305814 g/mol |
| Topological Polar Surface Area (TPSA) | 162.00 Ų |
| XlogP | 0.00 |
| Didethiodi(methylthio)acetylaranotin |
| 20485-02-3 |
| 7H,15H-Bisoxepino(3',4':4,5)pyrrolo(1,2-a:1',2'-d)pyrazine-7,15-dione, 5,13-bis(acetyloxy)-5,5a,7a,8,13,13a,15a,16-octahydro-7a,15a-bis(methylthio)-, (5S-(5alpha,5aalpha,7abeta,13alpha,15abeta))- |
| 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 | 97.13% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.57% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.39% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.34% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.75% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.83% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.84% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.10% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.20% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.95% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.87% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.23% | 90.00% |
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 | 9893316 |
| LOTUS | LTS0094621 |
| wikiData | Q105168392 |