17-(5,6-Dimethylhept-3-en-2-yl)-10,13-dimethyl-1,2,3,4,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,5,6,9,14-pentol
| Internal ID | ed834e56-477e-4a0c-8db1-298faa874d09 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives |
| IUPAC Name | 17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-1,2,3,4,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,5,6,9,14-pentol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H46O5/c1-17(2)18(3)7-8-19(4)21-10-12-26(31)22-15-23(30)28(33)16-20(29)9-11-25(28,6)27(22,32)14-13-24(21,26)5/h7-8,15,17-21,23,29-33H,9-14,16H2,1-6H3 |
| InChI Key | QGNJGKWIOMQCST-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H46O5 |
| Molecular Weight | 462.70 g/mol |
| Exact Mass | 462.33452456 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 17-(5,6-Dimethylhept-3-en-2-yl)-10,13-dimethyl-1,2,3,4,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,5,6,9,14-pentol](https://plantaedb.com/storage/docs/compounds/2023/11/47c42200-83c6-11ee-9e9e-4752ad5a7d9e.jpg "2D Structure of 17-(5,6-Dimethylhept-3-en-2-yl)-10,13-dimethyl-1,2,3,4,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,5,6,9,14-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 | 95.40% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.94% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.11% | 82.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.42% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.47% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.35% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.22% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.94% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.14% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.82% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.69% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.28% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.35% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.68% | 96.61% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.62% | 93.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.33% | 91.07% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.79% | 95.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.54% | 91.03% |
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 | 162972706 |
| LOTUS | LTS0091233 |
| wikiData | Q104195798 |