(2R)-2-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylheptane-1,5,6-triol
| Internal ID | de73dcb5-9efa-4183-815d-62e5e46d0325 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (2R)-2-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylheptane-1,5,6-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H50O4/c1-26(2)23-10-9-22-21(28(23,5)15-14-24(26)32)13-17-29(6)20(12-16-30(22,29)7)19(18-31)8-11-25(33)27(3,4)34/h9,13,19-20,23-25,31-34H,8,10-12,14-18H2,1-7H3/t19-,20+,23?,24-,25?,28+,29+,30-/m0/s1 |
| InChI Key | WTQONTJAKKYKBA-SIIIMULTSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C30H50O4 |
| Molecular Weight | 474.70 g/mol |
| Exact Mass | 474.37091007 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of (2R)-2-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylheptane-1,5,6-triol](https://plantaedb.com/storage/docs/compounds/2023/11/549e7770-85dd-11ee-b715-ef8631a73160.jpg "2D Structure of (2R)-2-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylheptane-1,5,6-triol")
| 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 | 98.82% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.57% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.25% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.54% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.24% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.09% | 96.61% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.82% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.41% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.13% | 95.93% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.59% | 94.23% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 84.44% | 98.05% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 83.57% | 99.43% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.35% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.32% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.49% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.04% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.54% | 97.29% |
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 | 5317511 |
| LOTUS | LTS0072383 |
| wikiData | Q105312719 |