17-[5-(2-Hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
| Internal ID | 58c999fe-af4e-48fb-844b-24acdacb89b4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol |
| SMILES (Canonical) | CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC4(C5(CCC(O5)C(C)(C)O)C)O)C)C)C |
| SMILES (Isomeric) | CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC4(C5(CCC(O5)C(C)(C)O)C)O)C)C)C |
| InChI | InChI=1S/C30H52O4/c1-24(2)19-11-15-27(6)20(26(19,5)14-12-22(24)31)9-10-21-28(27,7)17-18-30(21,33)29(8)16-13-23(34-29)25(3,4)32/h19-23,31-33H,9-18H2,1-8H3 |
| InChI Key | UTJGQZHPXQZMFT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52O4 |
| Molecular Weight | 476.70 g/mol |
| Exact Mass | 476.38656014 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of 17-[5-(2-Hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol](https://plantaedb.com/storage/docs/compounds/2023/11/afd8dbc0-861f-11ee-b191-f137f4cbe124.jpg "2D Structure of 17-[5-(2-Hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 96.83% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.61% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.04% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.00% | 91.11% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 90.22% | 95.42% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 88.55% | 87.16% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 87.51% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.40% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.20% | 94.45% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.96% | 89.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.25% | 96.09% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.11% | 95.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.28% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.36% | 91.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.99% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.56% | 92.94% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.85% | 92.88% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.81% | 95.58% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 80.89% | 97.31% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 80.13% | 88.81% |
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.
| Betula maximowicziana |
| Betula pendula |
| Betula pendula subsp. mandshurica |
| Cleome africana |
| PubChem | 14083389 |
| LOTUS | LTS0059785 |
| wikiData | Q105278839 |