[(1S,2S,4S,9S,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (Z,3S)-3-hydroxyoct-5-enoate
| Internal ID | 30a76770-b7c7-416d-91a2-323f6fd4a96e |
| 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] (Z,3S)-3-hydroxyoct-5-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H36N2O4/c1-2-3-4-6-18(26)12-23(28)29-19-9-10-24-14-16-11-17(21(24)13-19)15-25-20(16)7-5-8-22(25)27/h3-4,16-21,26H,2,5-15H2,1H3/b4-3-/t16-,17-,18-,19-,20+,21-/m0/s1 |
| InChI Key | COEBHSNHYKFGAA-JPSXNCOBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H36N2O4 |
| Molecular Weight | 404.50 g/mol |
| Exact Mass | 404.26750763 g/mol |
| Topological Polar Surface Area (TPSA) | 70.10 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of [(1S,2S,4S,9S,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (Z,3S)-3-hydroxyoct-5-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/33df2990-854c-11ee-b70c-d1307ae71aa2.jpg "2D Structure of [(1S,2S,4S,9S,10R)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (Z,3S)-3-hydroxyoct-5-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.75% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.03% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.05% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.94% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.93% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.86% | 97.09% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 90.29% | 92.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.25% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.40% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.83% | 96.47% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 86.07% | 98.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.14% | 99.17% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.96% | 95.50% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 84.41% | 94.66% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 84.27% | 91.43% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.99% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.80% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.63% | 92.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.96% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.37% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.28% | 90.08% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.83% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.62% | 86.33% |
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.
| Genista cinerea |
| PubChem | 163077354 |
| LOTUS | LTS0131202 |
| wikiData | Q104966768 |