17-[4-[3-(hydroxymethyl)-3-methyloxiran-2-yl]butan-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
| Internal ID | a529c015-b6f2-4da0-880e-c090a742801c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 17-[4-[3-(hydroxymethyl)-3-methyloxiran-2-yl]butan-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H46O4/c1-18(8-9-24-30(7,17-31)34-24)19-10-15-29(6)25-20(11-14-28(19,29)5)27(4)13-12-23(33)26(2,3)22(27)16-21(25)32/h18-19,22,24,31H,8-17H2,1-7H3 |
| InChI Key | DHGMYNLRIYMOGS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H46O4 |
| Molecular Weight | 470.70 g/mol |
| Exact Mass | 470.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 66.90 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 17-[4-[3-(hydroxymethyl)-3-methyloxiran-2-yl]butan-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione](https://plantaedb.com/storage/docs/compounds/2023/11/d3d336a0-8652-11ee-92d4-6b8bb216a0a3.jpg "2D Structure of 17-[4-[3-(hydroxymethyl)-3-methyloxiran-2-yl]butan-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.06% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.68% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.89% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.20% | 93.31% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.77% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.03% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.98% | 97.79% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 85.89% | 98.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.80% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.53% | 94.45% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.33% | 95.38% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.34% | 93.04% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 82.83% | 92.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.41% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.35% | 95.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.04% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.03% | 97.25% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.96% | 85.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.41% | 90.08% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.30% | 94.75% |
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 | 73024403 |
| LOTUS | LTS0075976 |
| wikiData | Q103818388 |