20,25-Dimethoxy-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-dodecaen-9-ol
| Internal ID | b60cef1f-66b2-4d18-9bb5-a47c987f189e |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 20,25-dimethoxy-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-dodecaen-9-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H36N2O6/c1-37-13-11-22-18-29(40-3)33-35-31(22)25(37)15-20-5-8-24(9-6-20)42-28-17-21(7-10-27(28)39)16-26-32-23(12-14-38(26)2)19-30(41-4)34(43-35)36(32)44-33/h5-10,17-19,25-26,39H,11-16H2,1-4H3 |
| InChI Key | LKDVYBAZAMZPBT-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H36N2O6 |
| Molecular Weight | 592.70 g/mol |
| Exact Mass | 592.25733687 g/mol |
| Topological Polar Surface Area (TPSA) | 72.90 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of 20,25-Dimethoxy-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-dodecaen-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/e32d9b00-8601-11ee-a3ac-73fcd5e8f2bf.jpg "2D Structure of 20,25-Dimethoxy-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-dodecaen-9-ol")
| 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 | 99.24% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.20% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.61% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.80% | 98.95% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.48% | 95.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.41% | 93.99% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 89.99% | 91.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.74% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.09% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.00% | 93.40% |
| 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% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.66% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.10% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.88% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.98% | 98.75% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.47% | 90.95% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.27% | 82.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.96% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.62% | 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.
| Cebatha pendula |
| PubChem | 101428521 |
| LOTUS | LTS0094915 |
| wikiData | Q105153014 |