19-But-1-enyl-15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-7-(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
| Internal ID | b83c8622-8bd6-406e-b2be-82859ff02a56 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > Aminoglycosides |
| IUPAC Name | 19-but-1-enyl-15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-7-(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H65NO10/c1-9-10-12-27-13-11-14-35(53-37-18-17-34(43(5)6)24(3)49-37)23(2)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(48-8)39(46)40(47-7)25(4)50-42/h10,12,15-16,21,23-32,34-35,37,39-42,46H,9,11,13-14,17-20,22H2,1-8H3 |
| InChI Key | CLGDOWMXJVHVME-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H65NO10 |
| Molecular Weight | 744.00 g/mol |
| Exact Mass | 743.46084727 g/mol |
| Topological Polar Surface Area (TPSA) | 122.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 19-But-1-enyl-15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-7-(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1c0e8f20-874e-11ee-909b-2be5dc2c81f1.jpg "2D Structure of 19-But-1-enyl-15-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-7-(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-14-methyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.32% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.02% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.40% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.05% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.26% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.94% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.67% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.86% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.72% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.60% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.49% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.27% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.79% | 92.94% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.82% | 89.34% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.38% | 98.59% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.58% | 91.19% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.11% | 95.93% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.74% | 97.05% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.63% | 100.00% |
| CHEMBL3974 | P25116 | Proteinase-activated receptor 1 | 81.53% | 97.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.18% | 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.
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| There are no matching plants. |
| PubChem | 72623629 |
| LOTUS | LTS0197442 |
| wikiData | Q104963399 |