(21,24-Dihydroxy-5',6',11,13-tetramethyl-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 2-methylbut-2-enoate
| Internal ID | bc16b746-92eb-410d-a001-b359824be1eb |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues > Milbemycins |
| IUPAC Name | (21,24-dihydroxy-5',6',11,13-tetramethyl-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 2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H50O9/c1-7-23(4)33(38)42-19-26-16-30-34(39)43-29-17-28(45-35(18-29)14-13-24(5)25(6)44-35)12-11-22(3)15-21(2)9-8-10-27-20-41-32(31(26)37)36(27,30)40/h7-11,16,21,24-25,28-32,37,40H,12-15,17-20H2,1-6H3 |
| InChI Key | PAUJDBQAEOHNRD-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H50O9 |
| Molecular Weight | 626.80 g/mol |
| Exact Mass | 626.34548317 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (21,24-Dihydroxy-5',6',11,13-tetramethyl-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 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/aa9c2800-85cb-11ee-b18f-ebce8da3b438.jpg "2D Structure of (21,24-Dihydroxy-5',6',11,13-tetramethyl-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 2-methylbut-2-enoate")
| 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 | 97.57% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.44% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.00% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.88% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.67% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.34% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.03% | 95.56% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.77% | 97.05% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.58% | 96.95% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 89.59% | 85.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.73% | 94.80% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.83% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.06% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.11% | 99.23% |
| CHEMBL3837 | P07711 | Cathepsin L | 85.70% | 96.61% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.33% | 97.21% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.09% | 91.19% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.94% | 86.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.93% | 91.07% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.71% | 96.77% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.77% | 94.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.49% | 96.43% |
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 | 85211264 |
| LOTUS | LTS0088744 |
| wikiData | Q104194177 |