Milbemycin alpha31
| Internal ID | c70548c4-3db3-4099-9977-8ab55b24dc2c |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (4S,5'S,6R,6'R,8R,10Z,13R,14Z,16E)-6'-ethyl-21-hydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-1(24),10,14,16,20,22-hexaene-6,2'-oxane]-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H42O6/c1-6-27-21(4)12-13-32(38-27)17-25-16-24(37-32)11-10-20(3)14-19(2)8-7-9-23-18-35-30-28(23)26(31(34)36-25)15-22(5)29(30)33/h7-10,15,19,21,24-25,27,33H,6,11-14,16-18H2,1-5H3/b8-7-,20-10-,23-9-/t19-,21-,24+,25-,27+,32+/m0/s1 |
| InChI Key | ZYUWEJDCQXCSMF-SSKSLTGKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H42O6 |
| Molecular Weight | 522.70 g/mol |
| Exact Mass | 522.29813906 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 6.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.36% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.58% | 95.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 93.20% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.19% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.85% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.20% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.00% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.82% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.69% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.06% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.77% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.23% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.91% | 96.95% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 86.06% | 97.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.76% | 100.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 85.28% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.56% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.13% | 94.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.63% | 90.93% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.42% | 82.38% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.12% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.41% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.25% | 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.
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| There are no matching plants. |
| PubChem | 139585354 |
| LOTUS | LTS0212418 |
| wikiData | Q77420734 |