[8-Hydroxy-10-methyl-14-(2-methylbut-2-enoyloxy)-11-oxo-4,12-dioxapentacyclo[7.7.0.01,6.02,13.010,15]hexadec-2-en-5-yl] 3-hydroxy-3-methylbutanoate
| Internal ID | b1c490e7-d386-4bbd-a9ab-113c093d7561 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | [8-hydroxy-10-methyl-14-(2-methylbut-2-enoyloxy)-11-oxo-4,12-dioxapentacyclo[7.7.0.01,6.02,13.010,15]hexadec-2-en-5-yl] 3-hydroxy-3-methylbutanoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1C2CC34C5CC(C3C2(C(=O)OC1C4=COC5OC(=O)CC(C)(C)O)C)O |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1C2CC34C5CC(C3C2(C(=O)OC1C4=COC5OC(=O)CC(C)(C)O)C)O |
| InChI | InChI=1S/C25H32O9/c1-6-11(2)20(28)33-17-13-8-25-12-7-15(26)19(25)24(13,5)22(29)34-18(17)14(25)10-31-21(12)32-16(27)9-23(3,4)30/h6,10,12-13,15,17-19,21,26,30H,7-9H2,1-5H3 |
| InChI Key | YFICAUKQIDAHTG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H32O9 |
| Molecular Weight | 476.50 g/mol |
| Exact Mass | 476.20463259 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of [8-Hydroxy-10-methyl-14-(2-methylbut-2-enoyloxy)-11-oxo-4,12-dioxapentacyclo[7.7.0.01,6.02,13.010,15]hexadec-2-en-5-yl] 3-hydroxy-3-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/8129bd60-8589-11ee-a011-c9544cfa335c.jpg "2D Structure of [8-Hydroxy-10-methyl-14-(2-methylbut-2-enoyloxy)-11-oxo-4,12-dioxapentacyclo[7.7.0.01,6.02,13.010,15]hexadec-2-en-5-yl] 3-hydroxy-3-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.80% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.45% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.41% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.07% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 91.81% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.57% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.31% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.11% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.99% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.83% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.21% | 97.14% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.56% | 89.34% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.25% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.27% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.07% | 98.95% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.49% | 93.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.01% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.01% | 99.17% |
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.
| Trixis grisebachii |
| PubChem | 163094357 |
| LOTUS | LTS0188041 |
| wikiData | Q105347601 |