(1S,14S)-9,20,25-trimethoxy-15-methyl-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-dodecaene-6,21-diol
| Internal ID | e1cea28e-3b1e-4702-9af5-a13e707cf2e0 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | (1S,14S)-9,20,25-trimethoxy-15-methyl-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-dodecaene-6,21-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H38N2O6/c1-38-12-10-23-18-33(43-4)35(40)36-34(23)28(38)16-21-6-8-30(41-2)26(14-21)25-13-20(5-7-29(25)39)15-27-24-19-32(44-36)31(42-3)17-22(24)9-11-37-27/h5-8,13-14,17-19,27-28,37,39-40H,9-12,15-16H2,1-4H3/t27-,28-/m0/s1 |
| InChI Key | IXKWJOUSNXVCKD-NSOVKSMOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H38N2O6 |
| Molecular Weight | 594.70 g/mol |
| Exact Mass | 594.27298694 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of (1S,14S)-9,20,25-trimethoxy-15-methyl-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-dodecaene-6,21-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1052a140-86a1-11ee-b98c-07ee7d994ac5.jpg "2D Structure of (1S,14S)-9,20,25-trimethoxy-15-methyl-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-dodecaene-6,21-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 | 99.47% | 96.09% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 96.51% | 91.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.13% | 85.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 94.92% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.77% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.59% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.96% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.18% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.00% | 91.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.42% | 94.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.28% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.23% | 95.56% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.12% | 95.78% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.87% | 92.94% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.49% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.11% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.34% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.24% | 89.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 87.05% | 90.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.61% | 94.45% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 86.26% | 91.79% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.90% | 95.53% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.73% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.29% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.28% | 89.50% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 84.10% | 95.34% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 83.29% | 97.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.07% | 86.33% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.75% | 80.78% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.30% | 82.38% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.08% | 99.15% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.24% | 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.
| Tiliacora triandra |
| PubChem | 163010937 |
| LOTUS | LTS0026680 |
| wikiData | Q105122234 |