13alpha-Hydroxyspartein-2-one
| Internal ID | d604656b-c505-4d0f-abde-5db4a2a54af7 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids |
| IUPAC Name | (1R,2R,9R,10R,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one |
| SMILES (Canonical) | C1CC2C3CC(CN2C(=O)C1)C4CC(CCN4C3)O |
| SMILES (Isomeric) | C1C[C@@H]2[C@@H]3C[C@H](CN2C(=O)C1)[C@H]4C[C@H](CCN4C3)O |
| InChI | InChI=1S/C15H24N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h10-14,18H,1-9H2/t10-,11-,12+,13-,14-/m1/s1 |
| InChI Key | JVYKIBAJVKEZSQ-RKQHYHRCSA-N |
| Popularity | 6 references 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 | 0.60 |
| 13-Hydroxylupanine |
| 13-Hydroxylupinine |
| (1R,2R,9R,10R,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.0?,?.0??,??]heptadecan-6-one |
| (2S,7R,7aR,14R,14aR)-2-hydroxydodecahydro-2H,11H-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one |
| 15358-48-2 |
| SCHEMBL20471756 |
| CHEBI:18328 |
| Q27103005 |
| (1R,2R,9R,10R,12S)-12-hydroxy-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.74% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.63% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.54% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.74% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.58% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.55% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.41% | 98.95% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 86.31% | 98.46% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 86.26% | 91.76% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 85.19% | 96.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.16% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.91% | 97.25% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 83.73% | 97.98% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.60% | 94.78% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.96% | 93.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.71% | 95.62% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.98% | 98.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.80% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.04% | 99.23% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.77% | 94.66% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 80.08% | 91.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.07% | 94.45% |
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.
| PubChem | 5459919 |
| LOTUS | LTS0056706 |
| wikiData | Q27103005 |