Methyl 2-[14-acetyloxy-6-(furan-3-yl)-9-hydroxy-1,5,15-trimethyl-8,17-dioxo-7-oxatetracyclo[13.2.1.02,11.05,10]octadeca-10,12-dien-18-yl]acetate
| Internal ID | bb714e6e-2155-4f62-9d70-70439fce1778 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | methyl 2-[14-acetyloxy-6-(furan-3-yl)-9-hydroxy-1,5,15-trimethyl-8,17-dioxo-7-oxatetracyclo[13.2.1.02,11.05,10]octadeca-10,12-dien-18-yl]acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H34O9/c1-15(30)37-21-7-6-17-18(29(4)19(12-22(32)35-5)28(21,3)13-20(29)31)8-10-27(2)23(17)24(33)26(34)38-25(27)16-9-11-36-14-16/h6-7,9,11,14,18-19,21,24-25,33H,8,10,12-13H2,1-5H3 |
| InChI Key | VIWDRXGIZBDUTJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H34O9 |
| Molecular Weight | 526.60 g/mol |
| Exact Mass | 526.22028266 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of Methyl 2-[14-acetyloxy-6-(furan-3-yl)-9-hydroxy-1,5,15-trimethyl-8,17-dioxo-7-oxatetracyclo[13.2.1.02,11.05,10]octadeca-10,12-dien-18-yl]acetate](https://plantaedb.com/storage/docs/compounds/2023/11/a852e200-874f-11ee-9714-3d9bcae1161f.jpg "2D Structure of Methyl 2-[14-acetyloxy-6-(furan-3-yl)-9-hydroxy-1,5,15-trimethyl-8,17-dioxo-7-oxatetracyclo[13.2.1.02,11.05,10]octadeca-10,12-dien-18-yl]acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.97% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.33% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.26% | 91.11% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 93.42% | 81.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.47% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.35% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.22% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.58% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.41% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.16% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.31% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.83% | 94.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.59% | 100.00% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 82.00% | 87.67% |
| CHEMBL5028 | O14672 | ADAM10 | 81.82% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.97% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.47% | 95.56% |
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.
| Heynea trijuga |
| PubChem | 75113868 |
| LOTUS | LTS0075549 |
| wikiData | Q105287055 |