Disorazole-D3
| Internal ID | 936e4f22-02fd-4777-8bcc-940baed20947 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | (6Z,8Z,22Z,26Z,28Z)-24,25-dihydroxy-4,20-bis[(E)-3-hydroxy-2-methylhex-4-en-2-yl]-12-methoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.114,17]tetratriaconta-1(32),6,8,10,14(34),16,22,26,28,30(33)-decaene-2,18-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C43H56N2O11/c1-8-18-34(48)42(3,4)36-23-14-12-10-11-13-20-29(52-7)26-39-45-31(28-54-39)41(51)56-37(43(5,6)35(49)19-9-2)24-17-22-33(47)32(46)21-15-16-25-38-44-30(27-53-38)40(50)55-36/h8-22,25,27-29,32-37,46-49H,23-24,26H2,1-7H3/b11-10-,14-12-,18-8+,19-9+,20-13?,21-15-,22-17-,25-16- |
| InChI Key | UTZXDLCIVUPSDX-NCLZIQNTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C43H56N2O11 |
| Molecular Weight | 776.90 g/mol |
| Exact Mass | 776.38841061 g/mol |
| Topological Polar Surface Area (TPSA) | 195.00 Ų |
| XlogP | 7.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.23% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.88% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.57% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.81% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.34% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.19% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.83% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.58% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.56% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.93% | 99.17% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.92% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.33% | 93.03% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.17% | 93.65% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.93% | 94.45% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.56% | 97.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.11% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.90% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.46% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.66% | 97.14% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.53% | 97.05% |
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 | 139586507 |
| LOTUS | LTS0124135 |
| wikiData | Q105279196 |