4-(3-hydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,9,11,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)pentan-2-one
| Internal ID | c0e8e966-eb9d-415c-8769-6ebb2a2bf468 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids |
| IUPAC Name | 4-(3-hydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,9,11,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)pentan-2-one |
| SMILES (Canonical) | CC(CC(=O)C)C1(CCC2(C1=CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C |
| SMILES (Isomeric) | CC(CC(=O)C)C1(CCC2(C1=CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C |
| InChI | InChI=1S/C27H42O2/c1-17(16-18(2)28)25(5)14-15-27(7)20-8-10-21-24(3,4)23(29)12-13-26(21,6)19(20)9-11-22(25)27/h8,11,17,19,21,23,29H,9-10,12-16H2,1-7H3 |
| InChI Key | ZJDKGAIQSLMOPA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H42O2 |
| Molecular Weight | 398.60 g/mol |
| Exact Mass | 398.318480578 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of 4-(3-hydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,9,11,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)pentan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/de264b10-85ef-11ee-962d-678378b0cc8f.jpg "2D Structure of 4-(3-hydroxy-4,4,10,14,17-pentamethyl-2,3,5,6,9,11,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)pentan-2-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.53% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.82% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.33% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.38% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.23% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.19% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.33% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.72% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.93% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.58% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.77% | 97.21% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.69% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.37% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.02% | 91.19% |
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.
| Abies sibirica |
| PubChem | 73802810 |
| LOTUS | LTS0096822 |
| wikiData | Q105377803 |