Methyl 2-[14-acetyloxy-6-(furan-3-yl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxatetracyclo[11.3.2.02,11.05,10]octadec-10-en-16-yl]-2-hydroxyacetate
| Internal ID | dbda8712-c2c2-45ae-a581-b51e36fcadf0 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | methyl 2-[14-acetyloxy-6-(furan-3-yl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxatetracyclo[11.3.2.02,11.05,10]octadec-10-en-16-yl]-2-hydroxyacetate |
| SMILES (Canonical) | CC(=O)OC1C(C(C2(C3CCC4(C(OC(=O)CC4=C3CC1(OC2=O)O)C5=COC=C5)C)C)C(C(=O)OC)O)(C)C |
| SMILES (Isomeric) | CC(=O)OC1C(C(C2(C3CCC4(C(OC(=O)CC4=C3CC1(OC2=O)O)C5=COC=C5)C)C)C(C(=O)OC)O)(C)C |
| InChI | InChI=1S/C29H36O11/c1-14(30)38-24-26(2,3)21(20(32)23(33)36-6)28(5)17-7-9-27(4)18(16(17)12-29(24,35)40-25(28)34)11-19(31)39-22(27)15-8-10-37-13-15/h8,10,13,17,20-22,24,32,35H,7,9,11-12H2,1-6H3 |
| InChI Key | UKIWAPDVWUMXJR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H36O11 |
| Molecular Weight | 560.60 g/mol |
| Exact Mass | 560.22576196 g/mol |
| Topological Polar Surface Area (TPSA) | 159.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of Methyl 2-[14-acetyloxy-6-(furan-3-yl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxatetracyclo[11.3.2.02,11.05,10]octadec-10-en-16-yl]-2-hydroxyacetate](https://plantaedb.com/storage/docs/compounds/2023/11/7efe9a40-867f-11ee-b4b7-31c053cce52f.jpg "2D Structure of Methyl 2-[14-acetyloxy-6-(furan-3-yl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxatetracyclo[11.3.2.02,11.05,10]octadec-10-en-16-yl]-2-hydroxyacetate")
| 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 | 98.88% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.70% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.34% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.85% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.69% | 99.23% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 90.69% | 92.88% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.87% | 90.17% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.77% | 91.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.19% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.69% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.96% | 82.69% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.84% | 96.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.73% | 91.19% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.33% | 95.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.92% | 94.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.53% | 91.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.32% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.28% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.83% | 97.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.42% | 93.03% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 84.09% | 91.38% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.00% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.06% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.33% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.31% | 91.07% |
| CHEMBL5028 | O14672 | ADAM10 | 80.44% | 97.50% |
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.
| Khaya ivorensis |
| Leucosceptrum canum |
| PubChem | 162983214 |
| LOTUS | LTS0144606 |
| wikiData | Q105124350 |