1-[3-[(3-Acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]butan-1-one
| Internal ID | 15227328-ea32-494b-9bad-8c7f3afc78a7 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylmethanes |
| IUPAC Name | 1-[3-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]butan-1-one |
| SMILES (Canonical) | CCCC(=O)C1=C(C(=C(C(=C1O)C)OC)CC2=C(C(=C(C(=C2O)C)O)C(=O)C)O)O |
| SMILES (Isomeric) | CCCC(=O)C1=C(C(=C(C(=C1O)C)OC)CC2=C(C(=C(C(=C2O)C)O)C(=O)C)O)O |
| InChI | InChI=1S/C22H26O8/c1-6-7-14(24)16-19(27)10(3)22(30-5)13(21(16)29)8-12-17(25)9(2)18(26)15(11(4)23)20(12)28/h25-29H,6-8H2,1-5H3 |
| InChI Key | PAJMZCLFOQIAFS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O8 |
| Molecular Weight | 418.40 g/mol |
| Exact Mass | 418.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 1-[3-[(3-Acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]butan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/eaedd7e0-8702-11ee-aa89-eb5c1e25ddc3.jpg "2D Structure of 1-[3-[(3-Acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]butan-1-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.94% | 97.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.82% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.28% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.87% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.66% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.16% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.96% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.91% | 96.00% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 86.65% | 95.39% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.56% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.76% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.07% | 94.33% |
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.
| Dryopteris hawaiiensis |
| PubChem | 15081412 |
| LOTUS | LTS0191007 |
| wikiData | Q105204558 |