(10R)-4,5,16-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-3,17-diol
| Internal ID | 3f29c905-b07a-4db7-932e-f0b6a2b8ecfa |
| Taxonomy | Alkaloids and derivatives > Homoaporphines |
| IUPAC Name | (10R)-4,5,16-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-3,17-diol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CCC4=CC(=C(C(=C43)O)OC)OC)O)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2[C@H]1CCC4=CC(=C(C(=C43)O)OC)OC)O)OC |
| InChI | InChI=1S/C21H25NO5/c1-22-8-7-12-9-14(25-2)19(23)18-16(12)13(22)6-5-11-10-15(26-3)21(27-4)20(24)17(11)18/h9-10,13,23-24H,5-8H2,1-4H3/t13-/m1/s1 |
| InChI Key | KSXDNYMXILTIFF-CYBMUJFWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H25NO5 |
| Molecular Weight | 371.40 g/mol |
| Exact Mass | 371.17327290 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (10R)-4,5,16-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-3,17-diol](https://plantaedb.com/storage/docs/compounds/2023/11/45c56b40-8567-11ee-b0f4-fb61c923b4ca.jpg "2D Structure of (10R)-4,5,16-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-3,17-diol")
| 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 | 98.97% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 96.18% | 95.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.71% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.33% | 85.14% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 91.61% | 91.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.58% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.33% | 91.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.85% | 95.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.72% | 91.79% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.23% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.92% | 95.89% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 86.60% | 95.34% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.36% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.35% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.62% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.18% | 93.99% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.87% | 99.18% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.89% | 88.48% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.86% | 96.86% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.73% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.59% | 92.62% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.42% | 91.96% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.88% | 95.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.73% | 89.00% |
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.
| Gloriosa superba |
| PubChem | 14413740 |
| LOTUS | LTS0135783 |
| wikiData | Q105145627 |