10,13-Dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-1,3,5,6,11-pentol
| Internal ID | 19c906b9-44a6-4d4b-bcff-19c45c325ab1 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives |
| IUPAC Name | 10,13-dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-1,3,5,6,11-pentol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H48O5/c1-15(2)16(3)7-8-17(4)20-9-10-21-19-12-24(32)28(33)13-18(29)11-23(31)27(28,6)25(19)22(30)14-26(20,21)5/h15,17-25,29-33H,3,7-14H2,1-2,4-6H3 |
| InChI Key | JYCGOEKALXJDNM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H48O5 |
| Molecular Weight | 464.70 g/mol |
| Exact Mass | 464.35017463 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of 10,13-Dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-1,3,5,6,11-pentol](https://plantaedb.com/storage/docs/compounds/2023/11/41c396a0-83e9-11ee-8067-3757b820124a.jpg "2D Structure of 10,13-Dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-1,3,5,6,11-pentol")
| 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 | 97.77% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.23% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.05% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.07% | 90.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.45% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.20% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.80% | 96.61% |
| CHEMBL3837 | P07711 | Cathepsin L | 91.89% | 96.61% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.45% | 95.93% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 90.07% | 97.64% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.99% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.83% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.43% | 83.82% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.24% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.09% | 82.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.28% | 85.14% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.69% | 95.58% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.31% | 96.43% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.17% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.82% | 96.47% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 86.24% | 87.16% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.35% | 98.05% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.13% | 98.10% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.74% | 89.63% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 83.16% | 98.77% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.14% | 89.05% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.88% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.74% | 96.77% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.14% | 89.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.94% | 95.71% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.93% | 94.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.83% | 92.86% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.78% | 98.33% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 80.71% | 92.78% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.48% | 92.88% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.47% | 95.89% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.27% | 94.78% |
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 | 73721048 |
| LOTUS | LTS0064635 |
| wikiData | Q105136919 |