(1R,17R)-11,27-dimethoxy-16,32-dimethyl-9,25,35,39-tetraoxa-16,32-diazanonacyclo[20.10.3.36,13.13,7.119,23.026,34.029,33.010,38.017,37]tetraconta-3(40),4,6,10,12,19(36),20,22,26,28,33,37-dodecaene
| Internal ID | aaaea5e7-dcdf-4738-a32e-f082a941cd15 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | (1R,17R)-11,27-dimethoxy-16,32-dimethyl-9,25,35,39-tetraoxa-16,32-diazanonacyclo[20.10.3.36,13.13,7.119,23.026,34.029,33.010,38.017,37]tetraconta-3(40),4,6,10,12,19(36),20,22,26,28,33,37-dodecaene |
| SMILES (Canonical) | CN1CCC2=CC(=C3C4=C2C1CC5=CC6=C(C=C5)OC7=C8C(CC9=CC(=C(O4)C=C9)CO3)N(CCC8=CC(=C7OC6)OC)C)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C4=C2[C@H]1CC5=CC6=C(C=C5)OC7=C8[C@@H](CC9=CC(=C(O4)C=C9)CO3)N(CCC8=CC(=C7OC6)OC)C)OC |
| InChI | InChI=1S/C38H38N2O6/c1-39-11-9-23-17-31(41-3)35-37-33(23)27(39)15-21-5-7-30-25(13-21)19-44-36-32(42-4)18-24-10-12-40(2)28(34(24)38(36)46-30)16-22-6-8-29(45-37)26(14-22)20-43-35/h5-8,13-14,17-18,27-28H,9-12,15-16,19-20H2,1-4H3/t27-,28-/m1/s1 |
| InChI Key | OOYGKIWLQZTZTG-VSGBNLITSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C38H38N2O6 |
| Molecular Weight | 618.70 g/mol |
| Exact Mass | 618.27298694 g/mol |
| Topological Polar Surface Area (TPSA) | 61.90 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of (1R,17R)-11,27-dimethoxy-16,32-dimethyl-9,25,35,39-tetraoxa-16,32-diazanonacyclo[20.10.3.36,13.13,7.119,23.026,34.029,33.010,38.017,37]tetraconta-3(40),4,6,10,12,19(36),20,22,26,28,33,37-dodecaene](https://plantaedb.com/storage/docs/compounds/2023/11/a6648910-8584-11ee-8a98-93053a270064.jpg "2D Structure of (1R,17R)-11,27-dimethoxy-16,32-dimethyl-9,25,35,39-tetraoxa-16,32-diazanonacyclo[20.10.3.36,13.13,7.119,23.026,34.029,33.010,38.017,37]tetraconta-3(40),4,6,10,12,19(36),20,22,26,28,33,37-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 | 98.98% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.05% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.35% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.18% | 93.40% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 90.26% | 91.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.03% | 86.33% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 88.68% | 90.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.14% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.06% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.88% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.01% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.18% | 89.62% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 84.44% | 96.86% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.86% | 95.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.41% | 82.38% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.27% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.91% | 93.99% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.25% | 100.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.74% | 95.78% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.44% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.30% | 91.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.23% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.15% | 89.50% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.49% | 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.
| Cissampelos capensis |
| PubChem | 162822615 |
| LOTUS | LTS0214991 |
| wikiData | Q105195793 |