3beta-Amino-22,26-epiminocholest-5-ene
| Internal ID | 755d762c-5b4b-472c-92a9-8ceef88c605f |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > 22,26-epiminocholestanes > 3-amino-22,26-epiminocholestanes |
| IUPAC Name | (3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-(5-methylpiperidin-2-yl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine |
| SMILES (Canonical) | CC1CCC(NC1)C(C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)N)C)C |
| SMILES (Isomeric) | CC1CCC(NC1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N)C)C |
| InChI | InChI=1S/C27H46N2/c1-17-5-10-25(29-16-17)18(2)22-8-9-23-21-7-6-19-15-20(28)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,29H,5,7-16,28H2,1-4H3/t17?,18-,20-,21-,22+,23-,24-,25?,26-,27+/m0/s1 |
| InChI Key | DHMOPSVHROLSFF-IDNLUMGLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H46N2 |
| Molecular Weight | 398.70 g/mol |
| Exact Mass | 398.366099476 g/mol |
| Topological Polar Surface Area (TPSA) | 38.00 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.92% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.51% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.99% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.02% | 96.09% |
| CHEMBL238 | Q01959 | Dopamine transporter | 92.51% | 95.88% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.64% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.65% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.99% | 98.95% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 88.28% | 93.18% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.40% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.62% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.47% | 91.11% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 85.34% | 90.71% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 85.18% | 95.42% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.28% | 95.93% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.87% | 98.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.11% | 93.56% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.93% | 93.67% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.89% | 97.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.87% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.30% | 82.69% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 82.28% | 80.96% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.24% | 91.03% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.51% | 92.88% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 81.21% | 97.23% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 81.15% | 97.63% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.07% | 85.31% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 81.04% | 82.86% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.04% | 93.40% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.71% | 89.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.64% | 95.89% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.45% | 89.05% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.44% | 85.30% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.23% | 100.00% |
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.
| Saracha punctata |
| PubChem | 53760475 |
| LOTUS | LTS0119022 |
| wikiData | Q104980373 |