5,20-Dimethoxy-9,25-dimethyl-2,17-dioxa-9,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13(35),14,16(34),18(33),19,21,28,31-dodecaene-4,19-diol
| Internal ID | 09cf1900-79b6-4ba0-9c04-2fdc690d5167 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 5,20-dimethoxy-9,25-dimethyl-2,17-dioxa-9,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13(35),14,16(34),18(33),19,21,28,31-dodecaene-4,19-diol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)CN(CC6=CC(=C5O)OC)C)O)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)CN(CC6=CC(=C5O)OC)C)O)OC |
| InChI | InChI=1S/C36H38N2O6/c1-37-19-24-15-21-5-9-27(10-6-21)44-36-32-23(17-29(41-3)34(36)40)13-14-38(2)28(32)16-22-7-11-26(12-8-22)43-35-31(24)25(20-37)18-30(42-4)33(35)39/h5-12,17-18,24,28,39-40H,13-16,19-20H2,1-4H3 |
| InChI Key | FNCXKIGNARPWHD-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) | 83.90 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of 5,20-Dimethoxy-9,25-dimethyl-2,17-dioxa-9,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13(35),14,16(34),18(33),19,21,28,31-dodecaene-4,19-diol](https://plantaedb.com/storage/docs/compounds/2023/11/8f599140-8686-11ee-b239-818422f93f13.jpg "2D Structure of 5,20-Dimethoxy-9,25-dimethyl-2,17-dioxa-9,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13(35),14,16(34),18(33),19,21,28,31-dodecaene-4,19-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 | 99.23% | 96.09% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 91.88% | 91.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.88% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.42% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.41% | 91.11% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.92% | 95.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 88.56% | 82.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.86% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.72% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.53% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.28% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.43% | 89.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.16% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.12% | 94.45% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 86.00% | 91.79% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.69% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.31% | 85.14% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.84% | 93.65% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.80% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.71% | 99.17% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.61% | 91.03% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.35% | 100.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 84.06% | 90.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.90% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.19% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.69% | 98.75% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 80.97% | 95.12% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.60% | 90.00% |
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.
| Curarea toxicofera |
| Dahlia australis |
| PubChem | 163026791 |
| LOTUS | LTS0080022 |
| wikiData | Q105337895 |