[16-(1-Acetyloxy-2-methoxy-2-oxoethyl)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] 2-methylbut-2-enoate
| Internal ID | b83e0c20-42ca-4b6a-b750-a8a94665237b |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | [16-(1-acetyloxy-2-methoxy-2-oxoethyl)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] 2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H42O10/c1-9-17(2)30(38)44-29-21-14-20-22(10-12-33(6)23(20)15-24(36)43-28(33)19-11-13-41-16-19)34(7,27(21)37)26(32(29,4)5)25(31(39)40-8)42-18(3)35/h9,11,13-14,16,21-23,25-26,28-29H,10,12,15H2,1-8H3 |
| InChI Key | QYULJHYYKMGSKH-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H42O10 |
| Molecular Weight | 610.70 g/mol |
| Exact Mass | 610.27779753 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of [16-(1-Acetyloxy-2-methoxy-2-oxoethyl)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/8a583040-85a4-11ee-9cef-c9dc89d80c9a.jpg "2D Structure of [16-(1-Acetyloxy-2-methoxy-2-oxoethyl)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] 2-methylbut-2-enoate")
| 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 | 99.34% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.08% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.73% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.17% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.52% | 89.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.06% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.91% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.02% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.89% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.62% | 98.95% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.57% | 92.88% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.45% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.34% | 86.33% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 86.19% | 80.96% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.99% | 91.24% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.15% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.12% | 95.56% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 83.63% | 92.95% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.97% | 91.38% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.88% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.33% | 92.62% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.21% | 97.79% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.99% | 95.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.97% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.63% | 91.19% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.12% | 83.00% |
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.
| Swietenia macrophylla |
| Swietenia mahagoni |
| PubChem | 72733155 |
| LOTUS | LTS0103036 |
| wikiData | Q105230668 |