methyl (Z)-4-(2,4-dihydroxyphenyl)-2-[(1S)-2-(2,4-dihydroxyphenyl)-1-methoxyethyl]but-2-enoate
| Internal ID | 144ebd41-d956-4950-aac2-42049df832ac |
| Taxonomy | Benzenoids > Phenols > Benzenediols > Resorcinols |
| IUPAC Name | methyl (Z)-4-(2,4-dihydroxyphenyl)-2-[(1S)-2-(2,4-dihydroxyphenyl)-1-methoxyethyl]but-2-enoate |
| SMILES (Canonical) | COC(CC1=C(C=C(C=C1)O)O)C(=CCC2=C(C=C(C=C2)O)O)C(=O)OC |
| SMILES (Isomeric) | CO[C@@H](CC1=C(C=C(C=C1)O)O)/C(=C/CC2=C(C=C(C=C2)O)O)/C(=O)OC |
| InChI | InChI=1S/C20H22O7/c1-26-19(9-13-4-7-15(22)11-18(13)24)16(20(25)27-2)8-5-12-3-6-14(21)10-17(12)23/h3-4,6-8,10-11,19,21-24H,5,9H2,1-2H3/b16-8-/t19-/m0/s1 |
| InChI Key | XOIYYFFWMNRCSJ-ZMHGOHSBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O7 |
| Molecular Weight | 374.40 g/mol |
| Exact Mass | 374.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of methyl (Z)-4-(2,4-dihydroxyphenyl)-2-[(1S)-2-(2,4-dihydroxyphenyl)-1-methoxyethyl]but-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-z-4-24-dihydroxyphenyl-2-1s-2-24-dihydroxyphenyl-1-methoxyethylbut-2-enoate.jpg "2D Structure of methyl (Z)-4-(2,4-dihydroxyphenyl)-2-[(1S)-2-(2,4-dihydroxyphenyl)-1-methoxyethyl]but-2-enoate")
| 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 | 96.76% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.24% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.55% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.14% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.87% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.72% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.86% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.80% | 96.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.34% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.07% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.89% | 94.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.83% | 90.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.66% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.66% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.30% | 86.33% |
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.
| Arnebia tschimganica |
| PubChem | 163188654 |
| LOTUS | LTS0058696 |
| wikiData | Q105337763 |