[(2R)-2,3-dihydroxy-2-(2-hydroxy-4-methylphenyl)propyl] 2-methylpropanoate
| Internal ID | f79df7be-d7cb-483e-842c-23d7d1bd6676 |
| Taxonomy | Benzenoids > Phenols > Cresols > Meta cresols |
| IUPAC Name | [(2R)-2,3-dihydroxy-2-(2-hydroxy-4-methylphenyl)propyl] 2-methylpropanoate |
| SMILES (Canonical) | CC1=CC(=C(C=C1)C(CO)(COC(=O)C(C)C)O)O |
| SMILES (Isomeric) | CC1=CC(=C(C=C1)[C@@](CO)(COC(=O)C(C)C)O)O |
| InChI | InChI=1S/C14H20O5/c1-9(2)13(17)19-8-14(18,7-15)11-5-4-10(3)6-12(11)16/h4-6,9,15-16,18H,7-8H2,1-3H3/t14-/m1/s1 |
| InChI Key | HGIHDUILBYERQC-CQSZACIVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H20O5 |
| Molecular Weight | 268.30 g/mol |
| Exact Mass | 268.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of [(2R)-2,3-dihydroxy-2-(2-hydroxy-4-methylphenyl)propyl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2r-23-dihydroxy-2-2-hydroxy-4-methylphenylpropyl-2-methylpropanoate.jpg "2D Structure of [(2R)-2,3-dihydroxy-2-(2-hydroxy-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.18% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.88% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.48% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.22% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.30% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.09% | 89.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.06% | 99.15% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.61% | 96.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.03% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.60% | 99.17% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.27% | 90.93% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 80.99% | 97.23% |
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.
| Aconitum kongboense |
| Centipeda minima |
| Eupatorium fortunei |
| Inula japonica |
| PubChem | 163033511 |
| LOTUS | LTS0111791 |
| wikiData | Q105027762 |