Milbemycin alpha28
| Internal ID | 703a0a21-6cfe-4ea1-91da-97a1101df273 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues > Milbemycins |
| IUPAC Name | [(1R,3'R,4S,4'S,5'R,6S,6'R,8R,10Z,13R,14Z,16Z,20R,21R,24S)-3',21,24-trihydroxy-5',6',11,13-tetramethyl-4'-(2-methylbutanoyloxy)-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-22-yl]methyl 1H-pyrrole-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H55NO12/c1-7-24(4)37(45)52-34-25(5)26(6)53-40(35(34)44)19-30-18-29(54-40)14-13-23(3)16-22(2)10-8-11-28-21-49-36-33(43)27(17-31(38(46)51-30)41(28,36)48)20-50-39(47)32-12-9-15-42-32/h8-13,15,17,22,24-26,29-31,33-36,42-44,48H,7,14,16,18-21H2,1-6H3/b10-8-,23-13-,28-11-/t22-,24?,25+,26+,29+,30-,31-,33+,34-,35+,36+,40+,41+/m0/s1 |
| InChI Key | LFQNVDAPCWUUFS-SGRPJTFUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C41H55NO12 |
| Molecular Weight | 753.90 g/mol |
| Exact Mass | 753.37242619 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | 3.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.19% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.89% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.31% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.11% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.48% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.43% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.93% | 94.45% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 90.01% | 97.28% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.55% | 96.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.55% | 96.47% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.42% | 94.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.00% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.07% | 86.33% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 86.46% | 85.31% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.69% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.99% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.21% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.60% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.56% | 97.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.34% | 93.56% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 81.63% | 97.31% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.52% | 98.75% |
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 | 139586512 |
| LOTUS | LTS0207337 |
| wikiData | Q105151131 |