(11S,26S)-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(31),3,5,7(36),13,15,18(33),19,21,28(32),29,34-dodecaen-6-ol
| Internal ID | 1cf2c557-e336-408c-ab3f-ab6e8b47701f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | (11S,26S)-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(31),3,5,7(36),13,15,18(33),19,21,28(32),29,34-dodecaen-6-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C(=C(C6=C5C(CC7=CC=C(O3)C=C7)N(CC6)C)O)OC)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C(=C(C6=C5[C@H](CC7=CC=C(O3)C=C7)N(CC6)C)O)OC)OC)OC)OC |
| InChI | InChI=1S/C38H42N2O7/c1-39-17-15-24-21-30(42-3)34(43-4)35-31(24)28(39)19-22-7-13-26(14-8-22)47-36-32-27(33(41)37(44-5)38(36)45-6)16-18-40(2)29(32)20-23-9-11-25(46-35)12-10-23/h7-14,21,28-29,41H,15-20H2,1-6H3/t28-,29-/m0/s1 |
| InChI Key | BZQCLPBOEZZQQI-VMPREFPWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H42N2O7 |
| Molecular Weight | 638.70 g/mol |
| Exact Mass | 638.29920168 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of (11S,26S)-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(31),3,5,7(36),13,15,18(33),19,21,28(32),29,34-dodecaen-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/dbaed250-8566-11ee-8b15-6177316fa267.jpg "2D Structure of (11S,26S)-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(31),3,5,7(36),13,15,18(33),19,21,28(32),29,34-dodecaen-6-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 | 98.77% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.82% | 91.11% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.21% | 91.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 91.79% | 95.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.54% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.37% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.99% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.78% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.39% | 94.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.06% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.95% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.79% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.88% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.63% | 89.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.23% | 82.38% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 83.56% | 95.12% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.34% | 99.17% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 82.23% | 100.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.81% | 93.65% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.53% | 91.03% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.58% | 95.78% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.48% | 89.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.44% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.33% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.23% | 94.45% |
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.
| Anisocycla jollyana |
| PubChem | 10794173 |
| LOTUS | LTS0181350 |
| wikiData | Q104950618 |