[1-Acetyloxy-1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-yl] 2-hydroxy-2-methyl-3-(2-methylbut-2-enoyloxy)butanoate
| Internal ID | f2a1d12a-feff-466e-9139-e489d2c9775b |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | [1-acetyloxy-1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-yl] 2-hydroxy-2-methyl-3-(2-methylbut-2-enoyloxy)butanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H30O10/c1-8-12(2)21(25)32-14(4)23(6,27)22(26)31-13(3)19(33-15(5)24)16-9-17(28-7)20-18(10-16)29-11-30-20/h8-10,13-14,19,27H,11H2,1-7H3 |
| InChI Key | MGXBHXWLMRDDSL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H30O10 |
| Molecular Weight | 466.50 g/mol |
| Exact Mass | 466.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of [1-Acetyloxy-1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-yl] 2-hydroxy-2-methyl-3-(2-methylbut-2-enoyloxy)butanoate](https://plantaedb.com/storage/docs/compounds/2023/11/9e4bd300-87f8-11ee-a104-9bbe835deb1f.jpg "2D Structure of [1-Acetyloxy-1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-yl] 2-hydroxy-2-methyl-3-(2-methylbut-2-enoyloxy)butanoate")
| 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 | 97.52% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.12% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.71% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.80% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.38% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.80% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.43% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.22% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.59% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.89% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.64% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.47% | 86.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.36% | 89.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.03% | 98.75% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.12% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.97% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.79% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.65% | 94.80% |
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.
| Thapsia villosa |
| PubChem | 162998323 |
| LOTUS | LTS0217530 |
| wikiData | Q105163620 |