4,5,17-Trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-3,16-diol
| Internal ID | baad3e33-48e2-4a62-a49c-e278e7b7cb56 |
| Taxonomy | Alkaloids and derivatives > Homoaporphines |
| IUPAC Name | 4,5,17-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-3,16-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H25NO5/c1-22-8-7-12-9-14(23)20(26-3)18-16(12)13(22)6-5-11-10-15(25-2)21(27-4)19(24)17(11)18/h9-10,13,23-24H,5-8H2,1-4H3 |
| InChI Key | AFAPEWKCXSTVJQ-UHFFFAOYSA-N |
| Popularity | 2 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 4,5,17-Trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-3,16-diol](https://plantaedb.com/storage/docs/compounds/2023/11/cffa3a60-8582-11ee-8e70-7566537f0807.jpg "2D Structure of 4,5,17-Trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-3,16-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 | 98.79% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 96.33% | 95.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.67% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.32% | 93.99% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 92.99% | 91.79% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 92.55% | 91.03% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 92.10% | 91.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.66% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.56% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.05% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.67% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.16% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.85% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.28% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.36% | 99.15% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 83.57% | 96.76% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 83.55% | 88.48% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 83.47% | 96.86% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.23% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.96% | 89.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.54% | 99.18% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 82.29% | 95.70% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.97% | 91.96% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.17% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.08% | 97.09% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.01% | 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 szovitsii |
| PubChem | 101967021 |
| LOTUS | LTS0104781 |
| wikiData | Q104910842 |