3,4,17-Trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-5,16-diol
| Internal ID | 2f3cfd97-d376-4eb5-819f-2effae511093 |
| Taxonomy | Alkaloids and derivatives > Homoaporphines |
| IUPAC Name | 3,4,17-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-5,16-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H25NO5/c1-22-8-7-12-10-14(23)19(25-2)18-16(12)13(22)6-5-11-9-15(24)20(26-3)21(27-4)17(11)18/h9-10,13,23-24H,5-8H2,1-4H3 |
| InChI Key | UPDCPGFCIDXGDU-UHFFFAOYSA-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 3,4,17-Trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-5,16-diol](https://plantaedb.com/storage/docs/compounds/2023/11/a28820d0-83ea-11ee-ae5b-8f4ef98bd856.jpg "2D Structure of 3,4,17-Trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-5,16-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 | 98.57% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 96.38% | 95.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.27% | 91.11% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 94.86% | 91.79% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.64% | 93.99% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.55% | 91.03% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.38% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.40% | 85.14% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 89.52% | 91.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.31% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.12% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.80% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.67% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.02% | 91.49% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.77% | 95.89% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.34% | 99.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.15% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.60% | 90.00% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 80.47% | 91.96% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.18% | 98.75% |
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.
| There are no matching plants. |
| PubChem | 14488017 |
| LOTUS | LTS0088108 |
| wikiData | Q105276724 |