Makisterone C 2,320,22-Diacetonide
| Internal ID | 0589cbb9-9260-4ab1-9dcb-148fb1a9c5eb |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Stigmastanes and derivatives |
| IUPAC Name | (1R,2R,4S,8R,10R,14S,17S,18R)-17-[(4R,5R)-5-[(2R)-2-ethyl-3-hydroxy-3-methylbutyl]-2,2,4-trimethyl-1,3-dioxolan-4-yl]-14-hydroxy-2,6,6,18-tetramethyl-5,7-dioxapentacyclo[11.7.0.02,10.04,8.014,18]icos-12-en-11-one |
| SMILES (Canonical) | CCC(CC1C(OC(O1)(C)C)(C)C2CCC3(C2(CCC4C3=CC(=O)C5C4(CC6C(C5)OC(O6)(C)C)C)C)O)C(C)(C)O |
| SMILES (Isomeric) | CC[C@H](C[C@@H]1[C@@](OC(O1)(C)C)(C)[C@H]2CC[C@@]3([C@@]2(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@H]6[C@@H](C5)OC(O6)(C)C)C)C)O)C(C)(C)O |
| InChI | InChI=1S/C35H56O7/c1-11-20(29(2,3)37)16-28-34(10,42-31(6,7)41-28)27-13-15-35(38)22-17-24(36)23-18-25-26(40-30(4,5)39-25)19-32(23,8)21(22)12-14-33(27,35)9/h17,20-21,23,25-28,37-38H,11-16,18-19H2,1-10H3/t20-,21+,23+,25-,26+,27+,28-,32-,33-,34-,35-/m1/s1 |
| InChI Key | IRWSUZLZJGRFDN-OKPAJNHESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C35H56O7 |
| Molecular Weight | 588.80 g/mol |
| Exact Mass | 588.40260412 g/mol |
| Topological Polar Surface Area (TPSA) | 94.50 Ų |
| XlogP | 4.40 |
| Makisterone C 2,320,22-Diacetonide |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.56% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.48% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.45% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.35% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.29% | 97.09% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 90.24% | 97.28% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.16% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.10% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.77% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.59% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.30% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.09% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.26% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.10% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.64% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.72% | 99.23% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.49% | 95.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.39% | 89.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.80% | 96.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.24% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.20% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.25% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.87% | 92.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.25% | 95.50% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.16% | 94.78% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 80.05% | 100.00% |
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.
| Silene viridiflora |
| PubChem | 70686961 |
| LOTUS | LTS0198087 |
| wikiData | Q105119273 |