27-Methoxylmilbemycin alpha31
| Internal ID | f03e310c-e9ee-4965-8d5b-4253b6688fb7 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (4S,5'S,6R,6'R,8R,10E,13R,14E)-6'-ethyl-21-hydroxy-18-methoxy-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) | CCC1C(CCC2(O1)CC3CC(O2)CC=C(CC(C=CC=C4C(OC5=C(C(=CC(=C45)C(=O)O3)C)O)OC)C)C)C |
| SMILES (Isomeric) | CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C4C(OC5=C(C(=CC(=C45)C(=O)O3)C)O)OC)C)\C)C |
| InChI | InChI=1S/C33H44O7/c1-7-27-21(4)13-14-33(40-27)18-24-17-23(39-33)12-11-20(3)15-19(2)9-8-10-25-28-26(31(35)37-24)16-22(5)29(34)30(28)38-32(25)36-6/h8-11,16,19,21,23-24,27,32,34H,7,12-15,17-18H2,1-6H3/b9-8+,20-11+,25-10?/t19-,21-,23+,24-,27+,32?,33+/m0/s1 |
| InChI Key | JWOMEKXEWNUTBW-MUTVBVKVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C33H44O7 |
| Molecular Weight | 552.70 g/mol |
| Exact Mass | 552.30870374 g/mol |
| Topological Polar Surface Area (TPSA) | 83.40 Ų |
| XlogP | 6.60 |
| 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 | 99.59% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 96.22% | 96.61% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.71% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.36% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.30% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.27% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.89% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.56% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.26% | 94.80% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.52% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.21% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.44% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.61% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.42% | 96.21% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.24% | 97.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.72% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.28% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.16% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.40% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.77% | 97.14% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.64% | 82.38% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 81.40% | 83.14% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.26% | 96.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.66% | 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 | 139591609 |
| LOTUS | LTS0126128 |
| wikiData | Q105136254 |