1-[(1R,19S)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.23,6.18,15.121,25.09,13.030,34.019,37]nonatriaconta-3(39),4,6(38),8(37),9(13),14,21(36),22,24,27,29,34-dodecaen-33-yl]ethanone
| Internal ID | 9fe4e1b9-c291-4d47-9db6-2f0fdf0d1c49 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 1-[(1R,19S)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.23,6.18,15.121,25.09,13.030,34.019,37]nonatriaconta-3(39),4,6(38),8(37),9(13),14,21(36),22,24,27,29,34-dodecaen-33-yl]ethanone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H38N2O7/c1-22(41)40-14-12-25-18-32(43-4)34-20-28(25)29(40)15-23-5-8-27(9-6-23)46-38-36-26(19-35-37(38)45-21-44-35)11-13-39(2)30(36)16-24-7-10-31(42-3)33(17-24)47-34/h5-10,17-20,29-30H,11-16,21H2,1-4H3/t29-,30+/m1/s1 |
| InChI Key | FACPTWNXIVCGNY-IHLOFXLRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C38H38N2O7 |
| Molecular Weight | 634.70 g/mol |
| Exact Mass | 634.26790156 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of 1-[(1R,19S)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.23,6.18,15.121,25.09,13.030,34.019,37]nonatriaconta-3(39),4,6(38),8(37),9(13),14,21(36),22,24,27,29,34-dodecaen-33-yl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/7ccc6010-8764-11ee-abfa-2b0ebb87cd72.jpg "2D Structure of 1-[(1R,19S)-24,28-dimethoxy-18-methyl-7,10,12,26-tetraoxa-18,33-diazaoctacyclo[25.6.2.23,6.18,15.121,25.09,13.030,34.019,37]nonatriaconta-3(39),4,6(38),8(37),9(13),14,21(36),22,24,27,29,34-dodecaen-33-yl]ethanone")
| 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 | 99.60% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.47% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.20% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.73% | 98.95% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 93.91% | 91.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.83% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.17% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.86% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.94% | 85.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.25% | 95.62% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 88.18% | 90.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.04% | 89.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.91% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.63% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.19% | 89.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.99% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.80% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.52% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.47% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.77% | 86.33% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.75% | 82.38% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.36% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.38% | 94.00% |
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 atjehensis |
| PubChem | 14655840 |
| LOTUS | LTS0129219 |
| wikiData | Q104992165 |