19,20,24-Trimethoxy-14,29-dimethyl-7,22-dioxa-14,29-diazaheptacyclo[21.6.2.23,6.28,11.113,17.026,30.021,32]hexatriaconta-3(36),4,6(35),8(34),9,11(33),17,19,21(32),23,25,30-dodecaene
| Internal ID | 45511bda-15d9-4f65-b303-000aa33ee910 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 19,20,24-trimethoxy-14,29-dimethyl-7,22-dioxa-14,29-diazaheptacyclo[21.6.2.23,6.28,11.113,17.026,30.021,32]hexatriaconta-3(36),4,6(35),8(34),9,11(33),17,19,21(32),23,25,30-dodecaene |
| SMILES (Canonical) | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=CC=C(CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)C=C5)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=CC=C(CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)C=C5)OC |
| InChI | InChI=1S/C37H40N2O5/c1-38-16-14-25-20-32(40-3)33-22-29(25)30(38)18-23-6-10-27(11-7-23)43-28-12-8-24(9-13-28)19-31-35-26(15-17-39(31)2)21-34(41-4)36(42-5)37(35)44-33/h6-13,20-22,30-31H,14-19H2,1-5H3 |
| InChI Key | CEXRTAGZMFHGHD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H40N2O5 |
| Molecular Weight | 592.70 g/mol |
| Exact Mass | 592.29372238 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of 19,20,24-Trimethoxy-14,29-dimethyl-7,22-dioxa-14,29-diazaheptacyclo[21.6.2.23,6.28,11.113,17.026,30.021,32]hexatriaconta-3(36),4,6(35),8(34),9,11(33),17,19,21(32),23,25,30-dodecaene](https://plantaedb.com/storage/docs/compounds/2023/11/6fe48210-82e5-11ee-b7e8-8dee96bd0b9a.jpg "2D Structure of 19,20,24-Trimethoxy-14,29-dimethyl-7,22-dioxa-14,29-diazaheptacyclo[21.6.2.23,6.28,11.113,17.026,30.021,32]hexatriaconta-3(36),4,6(35),8(34),9,11(33),17,19,21(32),23,25,30-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 | 99.37% | 96.09% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.08% | 91.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.58% | 95.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.78% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.76% | 85.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.63% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.08% | 95.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.01% | 82.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.58% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.97% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.77% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.21% | 98.75% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 85.06% | 96.86% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 84.38% | 95.12% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.25% | 91.11% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.97% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.13% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.96% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.68% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.16% | 94.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 81.69% | 90.95% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.37% | 95.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.20% | 89.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.69% | 89.50% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.63% | 82.67% |
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.
| Berberis integerrima |
| PubChem | 163042491 |
| LOTUS | LTS0260143 |
| wikiData | Q104956180 |