13-Cinnamoyloxylupanine
| Internal ID | d8446f8a-3fc3-4680-b888-67d6940ad963 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids |
| IUPAC Name | [(1S,2S,4S,9S,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 3-phenylprop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H30N2O3/c27-23-8-4-7-21-18-13-19(16-26(21)23)22-14-20(11-12-25(22)15-18)29-24(28)10-9-17-5-2-1-3-6-17/h1-3,5-6,9-10,18-22H,4,7-8,11-16H2/t18-,19-,20-,21+,22-/m0/s1 |
| InChI Key | PUFYZCKVLOYPHL-KGWSWXIGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H30N2O3 |
| Molecular Weight | 394.50 g/mol |
| Exact Mass | 394.22564282 g/mol |
| Topological Polar Surface Area (TPSA) | 49.90 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
| 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 | 98.76% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.01% | 95.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 96.01% | 94.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.48% | 96.09% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 93.78% | 94.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.16% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.09% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.56% | 94.62% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.47% | 93.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.12% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.76% | 97.09% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 86.12% | 91.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.58% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 85.08% | 97.50% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 85.06% | 92.12% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.86% | 93.03% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.00% | 96.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.66% | 91.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.21% | 99.23% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.19% | 96.25% |
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.
| Lupinus lanatus |
| PubChem | 111100 |
| LOTUS | LTS0083679 |
| wikiData | Q105215056 |