10,13,14-Trimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,6-diol
| Internal ID | a59e06cc-bc5f-408b-b6d4-320b98871a8a |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | 10,13,14-trimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,6-diol |
| SMILES (Canonical) | CC(C)CCCC(C)C1CCC2(C1(CCC3=C2CC(C4C3(CCC(C4)O)C)O)C)C |
| SMILES (Isomeric) | CC(C)CCCC(C)C1CCC2(C1(CCC3=C2CC(C4C3(CCC(C4)O)C)O)C)C |
| InChI | InChI=1S/C28H48O2/c1-18(2)8-7-9-19(3)21-11-14-28(6)23-17-25(30)24-16-20(29)10-13-26(24,4)22(23)12-15-27(21,28)5/h18-21,24-25,29-30H,7-17H2,1-6H3 |
| InChI Key | UABOMWGETQHETN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H48O2 |
| Molecular Weight | 416.70 g/mol |
| Exact Mass | 416.365430770 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 7.40 |
| There are no found synonyms. |
![2D Structure of 10,13,14-Trimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/5f364100-8635-11ee-a4ba-f98c8f8e8b0f.jpg "2D Structure of 10,13,14-Trimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,6-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 | 98.54% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.77% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.31% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.90% | 98.95% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 93.82% | 85.31% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.80% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.79% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.02% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.64% | 97.79% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 88.47% | 89.05% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.47% | 99.35% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.84% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.60% | 90.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.27% | 82.69% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.12% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.36% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.52% | 95.89% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.04% | 95.58% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.89% | 93.31% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.52% | 97.93% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.87% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.71% | 85.11% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.65% | 92.86% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.62% | 100.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 81.27% | 97.23% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.23% | 95.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.16% | 98.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.81% | 95.50% |
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.
| Myrtillocactus geometrizans |
| PubChem | 541541 |
| LOTUS | LTS0098865 |
| wikiData | Q105268583 |