epi-Ivermectin B1a
| Internal ID | 312d3620-b6e1-4a01-bac8-4a8862642be5 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues > Milbemycins |
| IUPAC Name | 6'-butan-2-yl-21,24-dihydroxy-12-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-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) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3 |
| InChI Key | AZSNMRSAGSSBNP-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C48H74O14 |
| Molecular Weight | 875.10 g/mol |
| Exact Mass | 874.50785703 g/mol |
| Topological Polar Surface Area (TPSA) | 170.00 Ų |
| XlogP | 4.10 |
| 70288-86-7 |
| 71827-03-7 |
| FT-0601609 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1293235 | P02545 | Prelamin-A/C |
398.1 nM |
Potency |
via Super-PRED
|
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR |
3.3 nM |
Potency |
via Super-PRED
|
| CHEMBL1963 | P16473 | Thyroid stimulating hormone receptor |
31.6 nM |
Potency |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.11% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.63% | 97.25% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.72% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.12% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.63% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.44% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.12% | 95.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 92.06% | 96.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.58% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.74% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.07% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.37% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.90% | 96.47% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.49% | 96.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.86% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.59% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.56% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.23% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.13% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.08% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.29% | 95.89% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 83.44% | 98.46% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.09% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.95% | 90.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.10% | 98.59% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.82% | 97.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.78% | 98.95% |
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 | 4330618 |
| LOTUS | LTS0054405 |
| wikiData | Q104921907 |