(1S,2R,8R,9R,10S,12S)-8,12-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
| Internal ID | 033312ef-2ebe-4612-85b6-4576e9aba0a8 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids |
| IUPAC Name | (1S,2R,8R,9R,10S,12S)-8,12-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one |
| SMILES (Canonical) | C1CC2C3CC(C4CC(CCN4C3)O)C(N2C(=O)C1)O |
| SMILES (Isomeric) | C1C[C@@H]2[C@H]3C[C@H]([C@@H]4C[C@H](CCN4C3)O)[C@H](N2C(=O)C1)O |
| InChI | InChI=1S/C15H24N2O3/c18-10-4-5-16-8-9-6-11(13(16)7-10)15(20)17-12(9)2-1-3-14(17)19/h9-13,15,18,20H,1-8H2/t9-,10-,11+,12+,13-,15+/m0/s1 |
| InChI Key | GOLCSVGISNQNMU-JSXSYOHWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24N2O3 |
| Molecular Weight | 280.36 g/mol |
| Exact Mass | 280.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 64.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of (1S,2R,8R,9R,10S,12S)-8,12-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s2r8r9r10s12s-812-dihydroxy-715-diazatetracyclo77102701015heptadecan-6-one.jpg "2D Structure of (1S,2R,8R,9R,10S,12S)-8,12-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one")
| 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 | 91.12% | 97.25% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 90.89% | 91.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.74% | 95.56% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 87.96% | 96.03% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 87.80% | 98.46% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.77% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.58% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.13% | 98.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.45% | 93.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.21% | 93.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.93% | 93.04% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.36% | 94.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.63% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.49% | 99.23% |
| CHEMBL3023 | Q9NRA0 | Sphingosine kinase 2 | 82.39% | 95.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.21% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.93% | 96.09% |
| CHEMBL238 | Q01959 | Dopamine transporter | 80.25% | 95.88% |
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.
| Calpurnia aurea |
| PubChem | 162956358 |
| LOTUS | LTS0084636 |
| wikiData | Q105014186 |