[(2R)-3-acetyloxy-2-hydroxy-2-(2-hydroxy-5-methoxy-4-methylphenyl)propyl] 2-methylpropanoate
| Internal ID | 2c045d8d-2fe3-457f-950b-18b2c39e94cb |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | [(2R)-3-acetyloxy-2-hydroxy-2-(2-hydroxy-5-methoxy-4-methylphenyl)propyl] 2-methylpropanoate |
| SMILES (Canonical) | CC1=CC(=C(C=C1OC)C(COC(=O)C)(COC(=O)C(C)C)O)O |
| SMILES (Isomeric) | CC1=CC(=C(C=C1OC)[C@@](COC(=O)C)(COC(=O)C(C)C)O)O |
| InChI | InChI=1S/C17H24O7/c1-10(2)16(20)24-9-17(21,8-23-12(4)18)13-7-15(22-5)11(3)6-14(13)19/h6-7,10,19,21H,8-9H2,1-5H3/t17-/m1/s1 |
| InChI Key | KDVJYSKSUGXPEX-QGZVFWFLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H24O7 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of [(2R)-3-acetyloxy-2-hydroxy-2-(2-hydroxy-5-methoxy-4-methylphenyl)propyl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2r-3-acetyloxy-2-hydroxy-2-2-hydroxy-5-methoxy-4-methylphenylpropyl-2-methylpropanoate.jpg "2D Structure of [(2R)-3-acetyloxy-2-hydroxy-2-(2-hydroxy-5-methoxy-4-methylphenyl)propyl] 2-methylpropanoate")
| 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 | 97.15% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.22% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.80% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.52% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.94% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.80% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.12% | 97.21% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.34% | 89.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.85% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.51% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.82% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.06% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.77% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.31% | 96.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.75% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.30% | 94.00% |
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.
| Mikania decora |
| PubChem | 163080132 |
| LOTUS | LTS0182944 |
| wikiData | Q105139406 |