[11,12-dihydroxy-3,10-dimethyl-3-(3-methyl-5-oxo-2H-furan-2-yl)-7-oxo-6,13-dioxatetracyclo[7.5.0.01,5.02,12]tetradecan-8-yl] 2-methylbutanoate
| Internal ID | 0e4cf25d-fdf8-49f1-bbcc-7071c22b129d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Quassinoids |
| IUPAC Name | [11,12-dihydroxy-3,10-dimethyl-3-(3-methyl-5-oxo-2H-furan-2-yl)-7-oxo-6,13-dioxatetracyclo[7.5.0.01,5.02,12]tetradecan-8-yl] 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC4(C)C5C(=CC(=O)O5)C)OC1=O)O)O)C |
| SMILES (Isomeric) | CCC(C)C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC4(C)C5C(=CC(=O)O5)C)OC1=O)O)O)C |
| InChI | InChI=1S/C24H32O9/c1-6-10(2)19(27)33-16-15-12(4)17(26)24(29)21-22(5,18-11(3)7-14(25)32-18)8-13(31-20(16)28)23(15,21)9-30-24/h7,10,12-13,15-18,21,26,29H,6,8-9H2,1-5H3 |
| InChI Key | JDSMNGUJOKFCLK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H32O9 |
| Molecular Weight | 464.50 g/mol |
| Exact Mass | 464.20463259 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of [11,12-dihydroxy-3,10-dimethyl-3-(3-methyl-5-oxo-2H-furan-2-yl)-7-oxo-6,13-dioxatetracyclo[7.5.0.01,5.02,12]tetradecan-8-yl] 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/8f8904e0-8592-11ee-b0d9-5f6792484b79.jpg "2D Structure of [11,12-dihydroxy-3,10-dimethyl-3-(3-methyl-5-oxo-2H-furan-2-yl)-7-oxo-6,13-dioxatetracyclo[7.5.0.01,5.02,12]tetradecan-8-yl] 2-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.52% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.59% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.08% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.96% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.85% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.70% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.55% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.18% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.81% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.79% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.87% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.34% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.94% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.49% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.96% | 90.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.93% | 94.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.73% | 82.69% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.04% | 96.61% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.68% | 91.19% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.17% | 96.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.00% | 94.75% |
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.
| Ailanthus excelsus |
| PubChem | 162957692 |
| LOTUS | LTS0089029 |
| wikiData | Q105125714 |