17-(5-ethyl-6-methylhepta-3,6-dien-2-yl)-10,13-dimethyl-2,3,4,9,11,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
| Internal ID | 98ca3aae-6e6f-41a7-966f-13dc84a8487e |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ergostane steroids > Ergosterols and derivatives |
| IUPAC Name | 17-(5-ethyl-6-methylhepta-3,6-dien-2-yl)-10,13-dimethyl-2,3,4,9,11,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol |
| SMILES (Canonical) | CCC(C=CC(C)C1CC=C2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C)C(=C)C |
| SMILES (Isomeric) | CCC(C=CC(C)C1CC=C2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C)C(=C)C |
| InChI | InChI=1S/C29H42O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,13,20-21,23,25,27,30H,2,7,12,14-18H2,1,3-6H3 |
| InChI Key | BGVRLHTZYLTSAD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H42O |
| Molecular Weight | 406.60 g/mol |
| Exact Mass | 406.323565959 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
![2D Structure of 17-(5-ethyl-6-methylhepta-3,6-dien-2-yl)-10,13-dimethyl-2,3,4,9,11,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/386a6000-8579-11ee-b61e-277a5336336d.jpg "2D Structure of 17-(5-ethyl-6-methylhepta-3,6-dien-2-yl)-10,13-dimethyl-2,3,4,9,11,12,16,17-octahydro-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.65% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.57% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.40% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.07% | 91.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.45% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.54% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.24% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.79% | 94.45% |
| CHEMBL4072 | P07858 | Cathepsin B | 89.76% | 93.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.44% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.56% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.30% | 95.89% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 85.64% | 99.43% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.01% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.46% | 89.05% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.73% | 98.35% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.53% | 98.59% |
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.
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| There are no matching plants. |
| PubChem | 71339634 |
| LOTUS | LTS0058686 |
| wikiData | Q104935755 |