(5S)-5-methyl-5-[(8R,10R,14R)-4,4,8,10,14-pentamethyl-3-oxo-5,6,7,9,11,12,13,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]furan-2-one
| Internal ID | 308e8dc2-55e7-4f18-b172-40376a4714dc |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones |
| IUPAC Name | (5S)-5-methyl-5-[(8R,10R,14R)-4,4,8,10,14-pentamethyl-3-oxo-5,6,7,9,11,12,13,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]furan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H38O3/c1-23(2)19-10-15-26(5)20(24(19,3)13-11-21(23)28)8-7-17-18(9-14-25(17,26)4)27(6)16-12-22(29)30-27/h11-13,16-20H,7-10,14-15H2,1-6H3/t17?,18?,19?,20?,24-,25+,26+,27-/m0/s1 |
| InChI Key | UNLHOZSQJSDBQS-DDLHVKBFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H38O3 |
| Molecular Weight | 410.60 g/mol |
| Exact Mass | 410.28209507 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of (5S)-5-methyl-5-[(8R,10R,14R)-4,4,8,10,14-pentamethyl-3-oxo-5,6,7,9,11,12,13,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/70c167a0-84ee-11ee-af50-d381da46fdf9.jpg "2D Structure of (5S)-5-methyl-5-[(8R,10R,14R)-4,4,8,10,14-pentamethyl-3-oxo-5,6,7,9,11,12,13,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]furan-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.81% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.20% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.52% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.26% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.25% | 100.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.22% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.85% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.15% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.68% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.53% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.57% | 90.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.07% | 95.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.78% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.56% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.32% | 89.00% |
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.
| Cleome amblyocarpa |
| PubChem | 162961478 |
| LOTUS | LTS0234340 |
| wikiData | Q105276039 |