4,5,19,20-Tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-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
| Internal ID | 79f1a251-e923-43bb-8012-f35405b1b61c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-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 |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)OC)OC |
| InChI | InChI=1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3 |
| InChI Key | ANOXEUSGZWSCQL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H42N2O6 |
| Molecular Weight | 622.70 g/mol |
| Exact Mass | 622.30428706 g/mol |
| Topological Polar Surface Area (TPSA) | 61.90 Ų |
| XlogP | 6.70 |
| CHEMBL1983719 |
| DTXSID30326780 |
| HMS3327A22 |
| 16846-79-0 |
| NCI60_005000 |
![2D Structure of 4,5,19,20-Tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-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](https://plantaedb.com/storage/docs/compounds/2023/11/6e11b9b0-8588-11ee-8bfe-55b9bfb73ead.jpg "2D Structure of 4,5,19,20-Tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-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")
| 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 | 98.90% | 96.09% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 90.08% | 91.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.97% | 95.56% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.65% | 95.62% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 87.21% | 95.12% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.19% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.94% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.64% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.65% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.53% | 93.40% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.30% | 82.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.00% | 98.95% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 83.57% | 96.76% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.54% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.50% | 90.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.43% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.16% | 91.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.11% | 95.89% |
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.
| Albertisia delagoensis |
| Anisocycla jollyana |
| Chondrodendron tomentosum |
| Cissampelos capensis |
| Cissampelos pareira |
| Limaciopsis loangensis |
| Synclisia scabrida |
| PubChem | 357329 |
| LOTUS | LTS0066059 |
| wikiData | Q82087991 |