(1R,2R,3R,9R,10R)-2-hydroxy-3-[[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
| Internal ID | 64c15ad2-47f8-48cd-8c76-e1d936f5ab79 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids |
| IUPAC Name | (1R,2R,3R,9R,10R)-2-hydroxy-3-[[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H38N4O3/c32-25-6-3-5-24-19-10-18(13-30(24)25)12-28(14-19)16-21-7-8-26(33)31-15-20-11-22(27(21,31)34)17-29-9-2-1-4-23(20)29/h3,5-6,18-23,34H,1-2,4,7-17H2/t18-,19+,20+,21+,22+,23+,27+/m0/s1 |
| InChI Key | YCYPSQCECLHIAW-UQBDUZIKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H38N4O3 |
| Molecular Weight | 466.60 g/mol |
| Exact Mass | 466.29439109 g/mol |
| Topological Polar Surface Area (TPSA) | 67.30 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of (1R,2R,3R,9R,10R)-2-hydroxy-3-[[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/e92919c0-8632-11ee-abb2-bf982ea72bb7.jpg "2D Structure of (1R,2R,3R,9R,10R)-2-hydroxy-3-[[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-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 | 97.97% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.87% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.83% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.55% | 96.09% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 91.76% | 94.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.34% | 93.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.21% | 95.56% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 89.95% | 96.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.08% | 94.45% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.88% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.53% | 95.89% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.22% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.16% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.75% | 93.99% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 86.14% | 96.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.99% | 82.69% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.40% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.56% | 91.11% |
| CHEMBL238 | Q01959 | Dopamine transporter | 84.44% | 95.88% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.72% | 91.71% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.04% | 90.08% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 80.31% | 97.98% |
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.
| Maackia amurensis |
| PubChem | 10837946 |
| LOTUS | LTS0023530 |
| wikiData | Q105346597 |