(1S,2R,4R,5S,9S,10S)-4,5-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
| Internal ID | 6ae2c42a-34f6-46ec-82e3-194dafde2827 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids |
| IUPAC Name | (1S,2R,4R,5S,9S,10S)-4,5-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one |
| SMILES (Canonical) | C1CCN2CC3CC(C2C1)CN4C3CC(C(C4=O)O)O |
| SMILES (Isomeric) | C1CCN2C[C@@H]3C[C@H]([C@@H]2C1)CN4[C@@H]3C[C@H]([C@@H](C4=O)O)O |
| InChI | InChI=1S/C15H24N2O3/c18-13-6-12-9-5-10(8-17(12)15(20)14(13)19)11-3-1-2-4-16(11)7-9/h9-14,18-19H,1-8H2/t9-,10-,11-,12+,13+,14-/m0/s1 |
| InChI Key | XLHXRPKHKRQZDA-QQKNPXLJSA-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,4R,5S,9S,10S)-4,5-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s2r4r5s9s10s-45-dihydroxy-715-diazatetracyclo77102701015heptadecan-6-one.jpg "2D Structure of (1S,2R,4R,5S,9S,10S)-4,5-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 | 95.55% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.24% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.84% | 98.95% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 88.81% | 94.78% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.32% | 93.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.55% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.76% | 95.56% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 85.57% | 96.03% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 85.20% | 91.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.11% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.96% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.48% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.19% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.72% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.62% | 95.89% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.24% | 98.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.41% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.82% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.52% | 97.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.44% | 94.45% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 81.44% | 99.29% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 81.07% | 97.98% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.33% | 96.43% |
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.
| Pearsonia obovata |
| Pearsonia sessilifolia subsp. marginata |
| Rothia hirsuta |
| PubChem | 14355510 |
| LOTUS | LTS0042760 |
| wikiData | Q104253976 |