1-[3-[(3-Acetyl-4,6-dihydroxy-2-methoxy-5-methylphenyl)methyl]-2,4-dihydroxy-6-methoxyphenyl]ethanone
| Internal ID | db546094-772d-4493-8847-38a370337359 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylmethanes |
| IUPAC Name | 1-[3-[(5-acetyl-2,4-dihydroxy-6-methoxy-3-methylphenyl)methyl]-2,4-dihydroxy-6-methoxyphenyl]ethanone |
| SMILES (Canonical) | CC1=C(C(=C(C(=C1O)C(=O)C)OC)CC2=C(C(=C(C=C2O)OC)C(=O)C)O)O |
| SMILES (Isomeric) | CC1=C(C(=C(C(=C1O)C(=O)C)OC)CC2=C(C(=C(C=C2O)OC)C(=O)C)O)O |
| InChI | InChI=1S/C20H22O8/c1-8-17(24)12(20(28-5)16(10(3)22)18(8)25)6-11-13(23)7-14(27-4)15(9(2)21)19(11)26/h7,23-26H,6H2,1-5H3 |
| InChI Key | HDXIOGOJXSHOIE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H22O8 |
| Molecular Weight | 390.40 g/mol |
| Exact Mass | 390.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 1-[3-[(3-Acetyl-4,6-dihydroxy-2-methoxy-5-methylphenyl)methyl]-2,4-dihydroxy-6-methoxyphenyl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/145ea820-85c6-11ee-83fb-45488f9627ed.jpg "2D Structure of 1-[3-[(3-Acetyl-4,6-dihydroxy-2-methoxy-5-methylphenyl)methyl]-2,4-dihydroxy-6-methoxyphenyl]ethanone")
| 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 | 96.04% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 94.32% | 97.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.82% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.55% | 96.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.99% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.69% | 95.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.67% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.29% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.56% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.31% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.10% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.84% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.28% | 90.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.89% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.58% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.11% | 98.75% |
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.
| Euphorbia ebracteolata |
| PubChem | 129835770 |
| LOTUS | LTS0212249 |
| wikiData | Q105026640 |