17-Ethyl-3-hydroxy-2-methoxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one
Internal ID | bcb85895-77fe-4944-9933-b6152b96be4c |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Pregnane steroids > Gluco/mineralocorticoids, progestogins and derivatives |
IUPAC Name | 17-ethyl-3-hydroxy-2-methoxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one |
SMILES (Canonical) | CCC1C(=O)CC2C1(CCC3C2CCC4C3(CC(C(C4)O)OC)C)C |
SMILES (Isomeric) | CCC1C(=O)CC2C1(CCC3C2CCC4C3(CC(C(C4)O)OC)C)C |
InChI | InChI=1S/C22H36O3/c1-5-15-18(23)11-17-14-7-6-13-10-19(24)20(25-4)12-22(13,3)16(14)8-9-21(15,17)2/h13-17,19-20,24H,5-12H2,1-4H3 |
InChI Key | VSYFJHFESQENRE-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H36O3 |
Molecular Weight | 348.50 g/mol |
Exact Mass | 348.26644501 g/mol |
Topological Polar Surface Area (TPSA) | 46.50 Ų |
XlogP | 4.40 |
There are no found synonyms. |
![2D Structure of 17-Ethyl-3-hydroxy-2-methoxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one 2D Structure of 17-Ethyl-3-hydroxy-2-methoxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one](https://plantaedb.com/storage/docs/compounds/2023/11/e7dc7f70-86b1-11ee-b3e2-e5863fdd6fe9.jpg)
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 | 97.92% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.57% | 97.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.31% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.40% | 94.45% |
CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.22% | 97.05% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.97% | 97.25% |
CHEMBL1871 | P10275 | Androgen Receptor | 90.21% | 96.43% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.70% | 100.00% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.67% | 90.17% |
CHEMBL2581 | P07339 | Cathepsin D | 85.46% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.39% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.79% | 86.33% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.23% | 96.77% |
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.
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Aglaia tomentosa |
PubChem | 162902169 |
LOTUS | LTS0148521 |
wikiData | Q105292600 |