17-[5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13-tetramethyl-2,5,6,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
| Internal ID | 8b714ad8-916d-4ec8-a61c-b239b82cb712 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | 17-[5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13-tetramethyl-2,5,6,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one |
| SMILES (Canonical) | CC1(C2CC=C3C4CCC(C4(CCC3C2(CCC1=O)C)C)C5CC(C(OC5)C(C)(C)O)O)C |
| SMILES (Isomeric) | CC1(C2CC=C3C4CCC(C4(CCC3C2(CCC1=O)C)C)C5CC(C(OC5)C(C)(C)O)O)C |
| InChI | InChI=1S/C29H46O4/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/h7,17,19-23,25,30,32H,8-16H2,1-6H3 |
| InChI Key | JFLHYCRSXPRCIW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H46O4 |
| Molecular Weight | 458.70 g/mol |
| Exact Mass | 458.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 17-[5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13-tetramethyl-2,5,6,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/209ef560-869a-11ee-bf05-77a19a825eed.jpg "2D Structure of 17-[5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13-tetramethyl-2,5,6,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one")
| 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 | 93.38% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.97% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.80% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.53% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.97% | 83.82% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.96% | 82.69% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.05% | 95.93% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.13% | 99.23% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.49% | 96.43% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.21% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.07% | 94.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.93% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.43% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.43% | 90.71% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.14% | 85.31% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.75% | 93.04% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.46% | 98.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.39% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.14% | 86.33% |
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 | 162863941 |
| LOTUS | LTS0104972 |
| wikiData | Q105126733 |