[2,3-Dihydroxy-2-(2-hydroxy-4-methylphenyl)propyl] acetate
| Internal ID | 3f65c283-5ae0-48c2-b3e9-b740aa28d630 |
| Taxonomy | Benzenoids > Phenols > Cresols > Meta cresols |
| IUPAC Name | [2,3-dihydroxy-2-(2-hydroxy-4-methylphenyl)propyl] acetate |
| SMILES (Canonical) | CC1=CC(=C(C=C1)C(CO)(COC(=O)C)O)O |
| SMILES (Isomeric) | CC1=CC(=C(C=C1)C(CO)(COC(=O)C)O)O |
| InChI | InChI=1S/C12H16O5/c1-8-3-4-10(11(15)5-8)12(16,6-13)7-17-9(2)14/h3-5,13,15-16H,6-7H2,1-2H3 |
| InChI Key | FKACTIKLTVZJSM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H16O5 |
| Molecular Weight | 240.25 g/mol |
| Exact Mass | 240.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of [2,3-Dihydroxy-2-(2-hydroxy-4-methylphenyl)propyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/23-dihydroxy-2-2-hydroxy-4-methylphenylpropyl-acetate.jpg "2D Structure of [2,3-Dihydroxy-2-(2-hydroxy-4-methylphenyl)propyl] 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.07% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.30% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.75% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.98% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.81% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.26% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.95% | 96.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.92% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.70% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.64% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.48% | 97.21% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.48% | 90.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.21% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.91% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.11% | 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.
| Perityle emoryi |
| PubChem | 14543615 |
| LOTUS | LTS0073595 |
| wikiData | Q104996446 |