6-Methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5-diol
| Internal ID | 14175876-3ff9-4736-a5c5-02fc11e7332d |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | 6-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5-diol |
| SMILES (Canonical) | CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC(C4(C3(CCC(C4)O)C)O)OC)C |
| SMILES (Isomeric) | CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC(C4(C3(CCC(C4)O)C)O)OC)C |
| InChI | InChI=1S/C28H48O3/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-25(31-6)28(30)17-20(29)12-15-27(28,5)24(21)13-14-26(22,23)4/h16,18-20,22-25,29-30H,7-15,17H2,1-6H3 |
| InChI Key | OSTVPVPQEYXOIN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H48O3 |
| Molecular Weight | 432.70 g/mol |
| Exact Mass | 432.36034539 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of 6-Methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5-diol](https://plantaedb.com/storage/docs/compounds/2023/11/7484d1a0-8573-11ee-8388-8dfb280531d7.jpg "2D Structure of 6-Methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5-diol")
| 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 | 98.72% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.83% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.93% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 95.93% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.92% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.25% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.13% | 95.89% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 91.21% | 85.31% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.61% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.03% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.99% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.84% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.72% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.82% | 100.00% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 83.53% | 95.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.75% | 95.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.58% | 93.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.27% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.20% | 93.99% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.15% | 87.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.97% | 96.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.79% | 86.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.62% | 96.38% |
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.
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| There are no matching plants. |
| PubChem | 14159782 |
| LOTUS | LTS0063696 |
| wikiData | Q105199325 |