10,13-Dimethyl-17-[1-(1-methylazepan-2-yl)ethyl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,15,17-triol
| Internal ID | 788412e3-9ffe-48c3-801f-0f598653f4af |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Pregnane steroids > Gluco/mineralocorticoids, progestogins and derivatives |
| IUPAC Name | 10,13-dimethyl-17-[1-(1-methylazepan-2-yl)ethyl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,15,17-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H47NO3/c1-18(23-8-6-5-7-15-29(23)4)28(32)17-24(31)25-21-10-9-19-16-20(30)11-13-26(19,2)22(21)12-14-27(25,28)3/h9,18,20-25,30-32H,5-8,10-17H2,1-4H3 |
| InChI Key | ADJSALUATZOABZ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H47NO3 |
| Molecular Weight | 445.70 g/mol |
| Exact Mass | 445.35559436 g/mol |
| Topological Polar Surface Area (TPSA) | 63.90 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 10,13-Dimethyl-17-[1-(1-methylazepan-2-yl)ethyl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,15,17-triol](https://plantaedb.com/storage/docs/compounds/2023/11/9d5be780-865b-11ee-a332-f1b451d1c6db.jpg "2D Structure of 10,13-Dimethyl-17-[1-(1-methylazepan-2-yl)ethyl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,15,17-triol")
| 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 | 99.37% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.38% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.91% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.32% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.41% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.30% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.19% | 93.56% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 91.14% | 95.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.55% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.35% | 85.14% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 90.30% | 95.34% |
| CHEMBL238 | Q01959 | Dopamine transporter | 89.37% | 95.88% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.32% | 90.71% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 89.28% | 94.78% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.16% | 93.04% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 88.94% | 99.29% |
| CHEMBL4072 | P07858 | Cathepsin B | 88.87% | 93.67% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.95% | 91.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.74% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.32% | 90.00% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 82.71% | 98.46% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.32% | 99.18% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 81.07% | 99.17% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.87% | 98.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.81% | 95.50% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.51% | 96.43% |
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.
| Fritillaria walujewii |
| PubChem | 73834234 |
| LOTUS | LTS0207484 |
| wikiData | Q104909630 |