Tenvermectin D
| Internal ID | 5ebb0ffa-d164-4364-83e0-bf026c4de99a |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues > Milbemycins |
| IUPAC Name | (1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21S,24S)-13-ethyl-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',6',11,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one |
| SMILES (Canonical) | CCC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)OC)OC)C)OC7(C4)CCC(C(O7)C)C)O |
| SMILES (Isomeric) | CC[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)CC[C@@H]([C@H](O7)C)C)O |
| InChI | InChI=1S/C46H70O14/c1-10-30-12-11-13-31-23-53-43-39(47)26(4)18-34(46(31,43)50)44(49)56-33-19-32(60-45(22-33)17-16-24(2)27(5)59-45)15-14-25(3)41(30)57-38-21-36(52-9)42(29(7)55-38)58-37-20-35(51-8)40(48)28(6)54-37/h11-14,18,24,27-30,32-43,47-48,50H,10,15-17,19-23H2,1-9H3/b12-11+,25-14+,31-13+/t24-,27+,28-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,45-,46+/m0/s1 |
| InChI Key | LRRLXHFQOQAAEL-DJEUOMBCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C46H70O14 |
| Molecular Weight | 847.00 g/mol |
| Exact Mass | 846.47655690 g/mol |
| Topological Polar Surface Area (TPSA) | 170.00 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 | 97.79% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.44% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.40% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.12% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.14% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.13% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 92.47% | 96.43% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.57% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.37% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.15% | 95.93% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.88% | 96.95% |
| CHEMBL4072 | P07858 | Cathepsin B | 89.04% | 93.67% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 88.59% | 97.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.35% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.05% | 98.59% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.00% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.87% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.18% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.85% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.63% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.04% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.89% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.01% | 97.21% |
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 | 139591318 |
| LOTUS | LTS0057000 |
| wikiData | Q105156286 |