10,13-dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Internal ID | 6e1f362a-d816-4b4d-9bcb-2d2270393265 |
| 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)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C |
| SMILES (Isomeric) | CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C |
| InChI | InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18,20-26,29H,3,7-17H2,1-2,4-6H3 |
| InChI Key | NYWZDGGKTLARLX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H48O |
| Molecular Weight | 400.70 g/mol |
| Exact Mass | 400.370516150 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 9.40 |
| There are no found synonyms. |
![2D Structure of 10,13-dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/0def1940-8828-11ee-bb76-f58a54f7aada.jpg "2D Structure of 10,13-dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol")
| 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 | 97.96% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.89% | 96.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 94.71% | 98.10% |
| CHEMBL240 | Q12809 | HERG | 94.47% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.15% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.70% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.27% | 90.17% |
| CHEMBL238 | Q01959 | Dopamine transporter | 91.28% | 95.88% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 91.19% | 89.05% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.05% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.93% | 96.43% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 89.51% | 98.05% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.21% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.97% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.53% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.51% | 94.45% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 86.10% | 96.03% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.11% | 96.61% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.50% | 90.71% |
| CHEMBL3055 | P50613 | Cyclin-dependent kinase 7 | 83.32% | 81.88% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 82.43% | 98.77% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.04% | 93.18% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.89% | 92.62% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.49% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.42% | 100.00% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 81.35% | 99.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.05% | 96.77% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.02% | 97.79% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.74% | 85.31% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.48% | 97.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.33% | 93.04% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.24% | 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.
| Cymodocea nodosa |
| Helianthus annuus |
| PubChem | 14017653 |
| LOTUS | LTS0157752 |
| wikiData | Q105187754 |