methyl (4R)-4-(2-hydroxy-5-methylphenyl)-5-methylhexanoate
| Internal ID | 45ac123c-a282-4bd4-ac9a-eef0c45d4ef1 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Phenylpropanes |
| IUPAC Name | methyl (4R)-4-(2-hydroxy-5-methylphenyl)-5-methylhexanoate |
| SMILES (Canonical) | CC1=CC(=C(C=C1)O)C(CCC(=O)OC)C(C)C |
| SMILES (Isomeric) | CC1=CC(=C(C=C1)O)[C@H](CCC(=O)OC)C(C)C |
| InChI | InChI=1S/C15H22O3/c1-10(2)12(6-8-15(17)18-4)13-9-11(3)5-7-14(13)16/h5,7,9-10,12,16H,6,8H2,1-4H3/t12-/m1/s1 |
| InChI Key | HWHKIRDCABPGBQ-GFCCVEGCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.33 g/mol |
| Exact Mass | 250.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
| 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 | 96.81% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.68% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.61% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.58% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.46% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.24% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.76% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.47% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.19% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.13% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.16% | 93.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.59% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.96% | 97.21% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.89% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.84% | 94.45% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.67% | 93.18% |
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.
| Alpinia oxyphylla |
| PubChem | 162866773 |
| LOTUS | LTS0216538 |
| wikiData | Q105034654 |