3alpha-Hydroxylupanine
| Internal ID | 65e0497a-16a2-4e0c-90ab-6206e1201151 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids |
| IUPAC Name | (1S,2R,5R,9S,10S)-5-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one |
| SMILES (Canonical) | C1CCN2CC3CC(C2C1)CN4C3CCC(C4=O)O |
| SMILES (Isomeric) | C1CCN2C[C@@H]3C[C@H]([C@@H]2C1)CN4[C@@H]3CC[C@H](C4=O)O |
| InChI | InChI=1S/C15H24N2O2/c18-14-5-4-13-10-7-11(9-17(13)15(14)19)12-3-1-2-6-16(12)8-10/h10-14,18H,1-9H2/t10-,11-,12-,13+,14+/m0/s1 |
| InChI Key | FROKOSJUHZENQC-QSLWVIQJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H24N2O2 |
| Molecular Weight | 264.36 g/mol |
| Exact Mass | 264.183778013 g/mol |
| Topological Polar Surface Area (TPSA) | 43.80 Ų |
| XlogP | 1.00 |
| CHEMBL515231 |
| 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 | 94.69% | 97.25% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 90.94% | 91.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.69% | 98.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.23% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.02% | 97.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 88.63% | 94.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.58% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.92% | 90.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.53% | 93.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.15% | 93.04% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 84.80% | 97.98% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 84.33% | 98.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.24% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.20% | 95.89% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 83.92% | 96.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.45% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.18% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.00% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.81% | 97.05% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.45% | 99.23% |
| CHEMBL238 | Q01959 | Dopamine transporter | 81.27% | 95.88% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.15% | 91.03% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.93% | 91.81% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.69% | 91.19% |
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.
| Ammopiptanthus mongolicus |
| Leontice leontopetalum |
| PubChem | 44559669 |
| LOTUS | LTS0080464 |
| wikiData | Q105000336 |