(10S)-4,16,17-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-3,5-diol
| Internal ID | 4c61ef12-20a0-43fb-9ce6-7a9b770de4a7 |
| Taxonomy | Alkaloids and derivatives > Homoaporphines |
| IUPAC Name | (10S)-4,16,17-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-3,5-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H25NO5/c1-22-8-7-12-10-15(25-2)21(27-4)18-16(12)13(22)6-5-11-9-14(23)20(26-3)19(24)17(11)18/h9-10,13,23-24H,5-8H2,1-4H3/t13-/m0/s1 |
| InChI Key | QZMVBJGBNBAWHP-ZDUSSCGKSA-N |
| Popularity | 3 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 (10S)-4,16,17-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-3,5-diol](https://plantaedb.com/storage/docs/compounds/2023/11/42b02690-8433-11ee-a24c-191d29198d76.jpg "2D Structure of (10S)-4,16,17-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-3,5-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 | 98.88% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.62% | 93.99% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 94.86% | 95.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.31% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.10% | 85.14% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 92.70% | 91.79% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 92.10% | 91.03% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 91.84% | 91.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.66% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.87% | 93.40% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.47% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.00% | 95.89% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 87.38% | 96.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.26% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.80% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.89% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.60% | 98.95% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.78% | 99.18% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.76% | 88.48% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.68% | 89.00% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.71% | 96.86% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.55% | 91.96% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.62% | 95.78% |
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.
| Colchicum kurdicum |
| PubChem | 14413739 |
| LOTUS | LTS0207972 |
| wikiData | Q105232174 |