20-Methoxy-15,30-dimethyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.23,6.18,12.114,18.024,32.027,31.022,34]heptatriaconta-3(37),4,6(36),8,10,12(35),18,20,22(34),24,26,31-dodecaene-9,25-diol
| Internal ID | 50920f0c-9fc6-4d9e-8bdd-7ed92463d973 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 20-methoxy-15,30-dimethyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.23,6.18,12.114,18.024,32.027,31.022,34]heptatriaconta-3(37),4,6(36),8,10,12(35),18,20,22(34),24,26,31-dodecaene-9,25-diol |
| SMILES (Canonical) | CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=C(O3)C(=C(C=C8CCN7C)OC)O4)O)O |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=C(O3)C(=C(C=C8CCN7C)OC)O4)O)O |
| InChI | InChI=1S/C35H34N2O6/c1-36-12-10-21-17-27(39)32-34-30(21)24(36)14-19-4-7-23(8-5-19)41-28-16-20(6-9-26(28)38)15-25-31-22(11-13-37(25)2)18-29(40-3)33(43-34)35(31)42-32/h4-9,16-18,24-25,38-39H,10-15H2,1-3H3 |
| InChI Key | IYGYFDDOHBCDFF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H34N2O6 |
| Molecular Weight | 578.70 g/mol |
| Exact Mass | 578.24168681 g/mol |
| Topological Polar Surface Area (TPSA) | 83.90 Ų |
| XlogP | 5.60 |
| 54370-90-0 |
| DTXSID40330373 |
| NSC-251696 |
![2D Structure of 20-Methoxy-15,30-dimethyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.23,6.18,12.114,18.024,32.027,31.022,34]heptatriaconta-3(37),4,6(36),8,10,12(35),18,20,22(34),24,26,31-dodecaene-9,25-diol](https://plantaedb.com/storage/docs/compounds/2023/11/027a9830-8618-11ee-b605-d191823bc923.jpg "2D Structure of 20-Methoxy-15,30-dimethyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.23,6.18,12.114,18.024,32.027,31.022,34]heptatriaconta-3(37),4,6(36),8,10,12(35),18,20,22(34),24,26,31-dodecaene-9,25-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 | 99.29% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.45% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.37% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.82% | 98.95% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 90.85% | 91.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.34% | 93.99% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.74% | 90.71% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.95% | 95.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.60% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.09% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.93% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.77% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.33% | 86.33% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 84.11% | 90.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.91% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.88% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.83% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.94% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.96% | 94.45% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.73% | 82.38% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.61% | 91.49% |
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.
| Cocculus pendulus |
| PubChem | 429245 |
| LOTUS | LTS0166785 |
| wikiData | Q82094571 |