1-(3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
| Internal ID | 347e11ec-4f33-4ca9-be2f-a6e69e1800d8 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids > 20-oxosteroids |
| IUPAC Name | 1-(3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone |
| SMILES (Canonical) | CC(=O)C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C |
| SMILES (Isomeric) | CC(=O)C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C |
| InChI | InChI=1S/C24H40O2/c1-15(25)16-9-13-23(5)17(16)7-8-19-22(4)12-11-20(26)21(2,3)18(22)10-14-24(19,23)6/h16-20,26H,7-14H2,1-6H3 |
| InChI Key | GRVOAMBHUWXGTO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H40O2 |
| Molecular Weight | 360.60 g/mol |
| Exact Mass | 360.302830514 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of 1-(3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/c1f29990-85f2-11ee-add4-eb855300fc20.jpg "2D Structure of 1-(3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.67% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.00% | 96.61% |
| CHEMBL204 | P00734 | Thrombin | 87.58% | 96.01% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.16% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.56% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.12% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.03% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.21% | 94.45% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.23% | 89.05% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.40% | 82.69% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.34% | 94.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.03% | 97.09% |
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.
| Aglaia elaeagnoidea |
| Brucea javanica |
| Euphorbia maculata |
| PubChem | 13994974 |
| LOTUS | LTS0122466 |
| wikiData | Q105016601 |