6,20,21,25-Tetramethoxy-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-ol
| Internal ID | c6b5fbf8-3c64-4115-88ce-6bf953b5b797 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 6,20,21,25-tetramethoxy-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H38N2O6/c1-40-30-8-6-21-14-26(30)25-13-20(5-7-29(25)39)16-28-34-23(10-12-38-28)18-33(42-3)35(43-4)36(34)44-32-19-24-22(17-31(32)41-2)9-11-37-27(24)15-21/h5-8,13-14,17-19,27-28,37-39H,9-12,15-16H2,1-4H3 |
| InChI Key | NVMJOTVEMVJDDG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H38N2O6 |
| Molecular Weight | 594.70 g/mol |
| Exact Mass | 594.27298694 g/mol |
| Topological Polar Surface Area (TPSA) | 90.40 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of 6,20,21,25-Tetramethoxy-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/e223f570-85f9-11ee-af59-470212a8f7a4.jpg "2D Structure of 6,20,21,25-Tetramethoxy-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),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 | 97.42% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.30% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.69% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.09% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.58% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.28% | 92.94% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 88.58% | 91.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.54% | 96.21% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 88.22% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.67% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.21% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.45% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.32% | 95.56% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.26% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.02% | 98.95% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 86.01% | 91.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.87% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.03% | 85.14% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 84.99% | 97.31% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.47% | 94.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.20% | 95.78% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.15% | 82.67% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.67% | 93.99% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.32% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.00% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.99% | 86.33% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 80.79% | 88.48% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.27% | 92.62% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.03% | 91.03% |
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.
| Guatteria guianensis |
| PubChem | 14080517 |
| LOTUS | LTS0074059 |
| wikiData | Q105186310 |