(1R,16S)-9-methoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-10,21,25-triol
| Internal ID | 14da91d6-d583-4df6-98db-d555c000bd07 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | (1R,16S)-9-methoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-10,21,25-triol |
| SMILES (Canonical) | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5OC)O)C)O |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5OC)O)C)O |
| InChI | InChI=1S/C35H36N2O6/c1-36-12-10-22-17-29(39)32-19-25(22)26(36)14-20-4-7-24(8-5-20)42-35-33-23(18-30(40)34(35)41-3)11-13-37(2)27(33)15-21-6-9-28(38)31(16-21)43-32/h4-9,16-19,26-27,38-40H,10-15H2,1-3H3/t26-,27+/m1/s1 |
| InChI Key | UHKIRMGEDDVNBT-SXOMAYOGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C35H36N2O6 |
| Molecular Weight | 580.70 g/mol |
| Exact Mass | 580.25733687 g/mol |
| Topological Polar Surface Area (TPSA) | 94.90 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of (1R,16S)-9-methoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-10,21,25-triol](https://plantaedb.com/storage/docs/compounds/2023/11/3462c9e0-8615-11ee-9ea9-0700f6e14b60.jpg "2D Structure of (1R,16S)-9-methoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-10,21,25-triol")
| 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 | 99.16% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.03% | 91.11% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 94.25% | 95.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.53% | 93.40% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 92.29% | 91.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.89% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.49% | 94.45% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.17% | 82.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.38% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.91% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.80% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.74% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.78% | 95.89% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.65% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.35% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.79% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.44% | 94.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.38% | 80.78% |
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.
| Cyclea wattii |
| PubChem | 46849804 |
| LOTUS | LTS0151170 |
| wikiData | Q105272935 |