9,20,25-Trimethoxy-15-methyl-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
| Internal ID | 910556c4-032a-4440-aa12-381abf92c79a |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 9,20,25-trimethoxy-15-methyl-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 |
| SMILES (Canonical) | CN1CCC2=CC(=C3C4=C2C1CC5=CC(=C(C=C5)OC)OC6=CC=C(CC7C8=C(O3)C(=C(C=C8CCN7)OC)O4)C=C6)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C4=C2C1CC5=CC(=C(C=C5)OC)OC6=CC=C(CC7C8=C(O3)C(=C(C=C8CCN7)OC)O4)C=C6)OC |
| InChI | InChI=1S/C36H36N2O6/c1-38-14-12-23-19-30(41-4)34-36-32(23)26(38)16-21-7-10-27(39-2)28(17-21)42-24-8-5-20(6-9-24)15-25-31-22(11-13-37-25)18-29(40-3)33(44-36)35(31)43-34/h5-10,17-19,25-26,37H,11-16H2,1-4H3 |
| InChI Key | NKNPUQYNGSLMLK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H36N2O6 |
| Molecular Weight | 592.70 g/mol |
| Exact Mass | 592.25733687 g/mol |
| Topological Polar Surface Area (TPSA) | 70.60 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of 9,20,25-Trimethoxy-15-methyl-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](https://plantaedb.com/storage/docs/compounds/2023/11/8e4a7cc0-8611-11ee-8ea1-65f3df64bcb0.jpg "2D Structure of 9,20,25-Trimethoxy-15-methyl-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")
| 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 | 99.21% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.05% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.00% | 98.95% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 91.60% | 91.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.80% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.63% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.30% | 94.45% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 88.39% | 90.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.74% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.20% | 94.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.99% | 95.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.61% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.54% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.44% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.56% | 90.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.88% | 82.38% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.61% | 89.50% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.23% | 96.86% |
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 | 163105216 |
| LOTUS | LTS0155167 |
| wikiData | Q105180669 |