20,25-Dimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),14,19,21,24,26,31-dodecaene
| Internal ID | 792e81bb-28f8-4df9-839b-d7bd95131683 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 20,25-dimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),14,19,21,24,26,31-dodecaene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H34N2O4/c1-37-27-17-24-11-13-36-30-15-21-6-8-25(9-7-21)39-26-5-3-4-22(14-26)16-29-28-20-32(40-33(19-27)34(24)30)31(38-2)18-23(28)10-12-35-29/h3-9,14,17-20,24,29,34-35H,10-13,15-16H2,1-2H3 |
| InChI Key | VQSMHQHVINQAFK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H34N2O4 |
| Molecular Weight | 534.60 g/mol |
| Exact Mass | 534.25185757 g/mol |
| Topological Polar Surface Area (TPSA) | 61.30 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 20,25-Dimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),14,19,21,24,26,31-dodecaene](https://plantaedb.com/storage/docs/compounds/2023/11/2bfa1380-881a-11ee-a1f1-f751825d04b3.jpg "2D Structure of 20,25-Dimethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),14,19,21,24,26,31-dodecaene")
| 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 | 98.44% | 96.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 95.01% | 96.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.58% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.62% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.71% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.62% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.33% | 97.25% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.51% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.38% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.08% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.43% | 85.14% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 86.68% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.25% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.97% | 95.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.65% | 99.18% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.23% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.15% | 92.94% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.03% | 93.99% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 83.62% | 96.39% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.82% | 91.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.76% | 95.78% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.31% | 99.23% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 82.09% | 80.96% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.62% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.37% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 163020586 |
| LOTUS | LTS0132334 |
| wikiData | Q105291482 |