19-But-1-enyl-15-(5-hydroxy-6-methyloxan-2-yl)oxy-14-methyl-7-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
| Internal ID | 503333fb-4662-4b2d-8ba1-1c8f2a16d401 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 19-but-1-enyl-15-(5-hydroxy-6-methyloxan-2-yl)oxy-14-methyl-7-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H62O11/c1-8-9-11-26-12-10-13-34(52-36-17-16-33(42)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-7)39(46-6)38(45-5)24(4)49-41/h9,11,14-15,20,22-31,33-34,36,38-42H,8,10,12-13,16-19,21H2,1-7H3 |
| InChI Key | KVBBLOVIQSLZSS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H62O11 |
| Molecular Weight | 730.90 g/mol |
| Exact Mass | 730.42921279 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 19-But-1-enyl-15-(5-hydroxy-6-methyloxan-2-yl)oxy-14-methyl-7-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione](https://plantaedb.com/storage/docs/compounds/2023/11/5304a780-8701-11ee-8c18-178aae9d5d56.jpg "2D Structure of 19-But-1-enyl-15-(5-hydroxy-6-methyloxan-2-yl)oxy-14-methyl-7-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy-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 | 97.42% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.54% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.31% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.68% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.86% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.26% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.88% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.75% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.25% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.85% | 99.23% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.81% | 97.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.70% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.99% | 99.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.57% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.09% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.90% | 94.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.38% | 91.19% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.19% | 95.93% |
| CHEMBL3974 | P25116 | Proteinase-activated receptor 1 | 81.13% | 97.78% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.15% | 92.94% |
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.
| There are no matching plants. |
| PubChem | 163065741 |
| LOTUS | LTS0135724 |
| wikiData | Q105146442 |