Disorazole-A2
| Internal ID | e3dab9f9-65f7-45c1-93e3-f0146a2dbc20 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | (2Z,4Z,9Z,21Z,23Z,25Z)-20-hydroxy-12,28-bis[(E)-3-hydroxy-2-methylhex-4-en-2-yl]-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.115,18.06,8]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H52N2O10/c1-7-17-33(46)41(3,4)35-22-13-11-9-10-12-19-28(45)25-38-44-30(27-51-38)40(49)54-36(42(5,6)34(47)18-8-2)23-16-21-32-31(52-32)20-14-15-24-37-43-29(26-50-37)39(48)53-35/h7-21,24,26-28,31-36,45-47H,22-23,25H2,1-6H3/b10-9-,13-11-,17-7+,18-8+,19-12-,20-14-,21-16-,24-15- |
| InChI Key | CXONDRPTMWQTGL-MOQVVRFQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C42H52N2O10 |
| Molecular Weight | 744.90 g/mol |
| Exact Mass | 744.36219586 g/mol |
| Topological Polar Surface Area (TPSA) | 178.00 Ų |
| XlogP | 7.70 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.97% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.90% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.10% | 85.14% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 89.25% | 92.51% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.22% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.83% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.99% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.03% | 98.95% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.58% | 100.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.25% | 97.36% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.75% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.06% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.65% | 97.25% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.52% | 91.07% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.12% | 93.65% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.97% | 93.03% |
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 | 139587003 |
| LOTUS | LTS0032439 |
| wikiData | Q77519138 |