2-(2-Hydroxypropan-2-yl)-5-(3-hydroxy-4,4,10,13-tetramethyl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)oxan-3-ol
| Internal ID | 15fded47-e884-4799-b43c-40ed6f90a01f |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | 2-(2-hydroxypropan-2-yl)-5-(3-hydroxy-4,4,10,13-tetramethyl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)oxan-3-ol |
| SMILES (Canonical) | CC1(C(CCC2(C1CC=C3C2CCC4(C3CCC4C5CC(C(OC5)C(C)(C)O)O)C)C)O)C |
| SMILES (Isomeric) | CC1(C(CCC2(C1CC=C3C2CCC4(C3CCC4C5CC(C(OC5)C(C)(C)O)O)C)C)O)C |
| InChI | InChI=1S/C29H48O4/c1-26(2)23-10-7-18-20-9-8-19(17-15-22(30)25(33-16-17)27(3,4)32)28(20,5)13-11-21(18)29(23,6)14-12-24(26)31/h7,17,19-25,30-32H,8-16H2,1-6H3 |
| InChI Key | DXCDJGWNXWYFJA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H48O4 |
| Molecular Weight | 460.70 g/mol |
| Exact Mass | 460.35526001 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of 2-(2-Hydroxypropan-2-yl)-5-(3-hydroxy-4,4,10,13-tetramethyl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)oxan-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/59a41f30-87c6-11ee-90e6-0d228f8845cd.jpg "2D Structure of 2-(2-Hydroxypropan-2-yl)-5-(3-hydroxy-4,4,10,13-tetramethyl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)oxan-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.88% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.83% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.47% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.38% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.17% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.67% | 82.69% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.92% | 96.43% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.66% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.94% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.91% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.38% | 96.09% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.63% | 85.31% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.67% | 91.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.33% | 97.14% |
| CHEMBL5028 | O14672 | ADAM10 | 80.28% | 97.50% |
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.
| Turraea pubescens |
| PubChem | 162934072 |
| LOTUS | LTS0038538 |
| wikiData | Q104990928 |