Spirostan-3-amine, (3beta,5alpha,25S)-
| Internal ID | 1fd5f4e8-e1b0-4c7b-8b86-82163c8395e1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-amine |
| SMILES (Canonical) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)N)C)C)C)OC1 |
| SMILES (Isomeric) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)N)C)C)C)OC1 |
| InChI | InChI=1S/C27H45NO2/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24H,5-15,28H2,1-4H3 |
| InChI Key | BADUKLRFTFBRSD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H45NO2 |
| Molecular Weight | 415.70 g/mol |
| Exact Mass | 415.345029678 g/mol |
| Topological Polar Surface Area (TPSA) | 44.50 Ų |
| XlogP | 6.20 |
| Spirostan-3-amine # |
| BADUKLRFTFBRSD-UHFFFAOYSA-N |
| 5.alpha.-Spirostan-3.beta.-amine, (25S)- |
| Spirostan-3-amine, (3.beta.,5.alpha.,25S)- |
| Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-[2H]pyran], spirostan-3-amine deriv. |
| 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 |
|---|---|---|---|---|
| CHEMBL204 | P00734 | Thrombin | 97.43% | 96.01% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.63% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.60% | 97.09% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 96.45% | 97.31% |
| CHEMBL233 | P35372 | Mu opioid receptor | 95.59% | 97.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.73% | 97.25% |
| CHEMBL236 | P41143 | Delta opioid receptor | 92.28% | 99.35% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.24% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.75% | 82.69% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.51% | 95.58% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.32% | 95.38% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.96% | 92.86% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.81% | 92.94% |
| CHEMBL238 | Q01959 | Dopamine transporter | 85.40% | 95.88% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.17% | 93.18% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 84.10% | 88.81% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.49% | 89.05% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 83.44% | 100.00% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 82.69% | 99.17% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.68% | 95.50% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 82.52% | 92.38% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.27% | 86.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.21% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.78% | 91.11% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 81.72% | 95.27% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.98% | 96.43% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 80.88% | 95.42% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.41% | 95.89% |
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.
| Solanum asperolanatum |
| PubChem | 539660 |
| LOTUS | LTS0174571 |
| wikiData | Q104922123 |