N-[(3beta,4beta,5alpha)-20-(Dimethylamino)-4-hydroxypregnan-3-yl]benzamide
| Internal ID | db452504-8ccc-4432-bf19-4949dc511858 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids |
| IUPAC Name | N-[(3S,4R,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-4-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]benzamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H46N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,19,21-27,33H,11-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,26-,27+,29+,30+/m0/s1 |
| InChI Key | CNUYQHVJXXHWTA-GHNVHIJPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H46N2O2 |
| Molecular Weight | 466.70 g/mol |
| Exact Mass | 466.35592871 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 6.40 |
| DTXSID90790281 |
| N-[(3beta,4beta,5alpha)-20-(Dimethylamino)-4-hydroxypregnan-3-yl]benzamide |
![2D Structure of N-[(3beta,4beta,5alpha)-20-(Dimethylamino)-4-hydroxypregnan-3-yl]benzamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-3beta4beta5alpha-20-dimethylamino-4-hydroxypregnan-3-ylbenzamide.jpg "2D Structure of N-[(3beta,4beta,5alpha)-20-(Dimethylamino)-4-hydroxypregnan-3-yl]benzamide")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.92% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.80% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.48% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.80% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 89.56% | 97.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.96% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.04% | 90.71% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 86.70% | 85.31% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.42% | 93.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.25% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.04% | 99.23% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.21% | 95.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.15% | 93.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.55% | 85.11% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.81% | 91.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.46% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.37% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.99% | 97.14% |
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.
| Sarcococca saligna |
| PubChem | 71367060 |
| LOTUS | LTS0044676 |
| wikiData | Q82757968 |