[(8S,9S,10S,13R,14S,17R)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-10-yl]methanol
| Internal ID | b9167d9b-387f-4db9-8c2b-3938f8ea710a |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids |
| IUPAC Name | [(8S,9S,10S,13R,14S,17R)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-10-yl]methanol |
| SMILES (Canonical) | CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2C=CC4=CC=CCC34CO)C |
| SMILES (Isomeric) | C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC=CC[C@]34CO)C |
| InChI | InChI=1S/C28H42O/c1-19(2)20(3)9-10-21(4)24-13-14-25-23-12-11-22-8-6-7-16-28(22,18-29)26(23)15-17-27(24,25)5/h6-8,11-12,19,21,23-26,29H,3,9-10,13-18H2,1-2,4-5H3/t21-,23+,24-,25+,26+,27-,28-/m1/s1 |
| InChI Key | ULVOHMDXTRQASQ-ZDAAFACHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H42O |
| Molecular Weight | 394.60 g/mol |
| Exact Mass | 394.323565959 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 8.40 |
| There are no found synonyms. |
![2D Structure of [(8S,9S,10S,13R,14S,17R)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-10-yl]methanol](https://plantaedb.com/storage/docs/compounds/2023/11/02057700-87fa-11ee-8f52-87bf78a5bc72.jpg "2D Structure of [(8S,9S,10S,13R,14S,17R)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-10-yl]methanol")
| 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 | 98.97% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.20% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.08% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.35% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.84% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.20% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.03% | 94.45% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.84% | 90.24% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.49% | 89.05% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 85.39% | 89.92% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.20% | 96.43% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.99% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.48% | 95.89% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.27% | 94.23% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.20% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.94% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.73% | 100.00% |
| CHEMBL240 | Q12809 | HERG | 83.38% | 89.76% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.51% | 89.63% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.26% | 90.08% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.71% | 98.33% |
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 | 23642714 |
| LOTUS | LTS0126632 |
| wikiData | Q105275376 |