1-[3-[(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(3-methylbutyl)phenyl]-2-methylpropan-1-one
| Internal ID | b6fe6c6e-b3a1-48ea-ba54-a1495f43ab0a |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylmethanes |
| IUPAC Name | 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(3-methylbutyl)phenyl]-2-methylpropan-1-one |
| SMILES (Canonical) | CC1=C(C(=C(C(=C1OC)CC2=C(C(=C(C(=C2O)CCC(C)C)O)C(=O)C(C)C)O)O)C(=O)C)O |
| SMILES (Isomeric) | CC1=C(C(=C(C(=C1OC)CC2=C(C(=C(C(=C2O)CCC(C)C)O)C(=O)C(C)C)O)O)C(=O)C)O |
| InChI | InChI=1S/C26H34O8/c1-11(2)8-9-15-22(30)16(24(32)19(23(15)31)20(28)12(3)4)10-17-25(33)18(14(6)27)21(29)13(5)26(17)34-7/h11-12,29-33H,8-10H2,1-7H3 |
| InChI Key | ZHNISMFQHUAUKA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H34O8 |
| Molecular Weight | 474.50 g/mol |
| Exact Mass | 474.22536804 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of 1-[3-[(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(3-methylbutyl)phenyl]-2-methylpropan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/4d25f910-8593-11ee-a63e-614d27c73e5b.jpg "2D Structure of 1-[3-[(3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-(3-methylbutyl)phenyl]-2-methylpropan-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.45% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.28% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.98% | 98.95% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 90.18% | 95.39% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.74% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.71% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.55% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.94% | 97.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.61% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.33% | 99.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.11% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.34% | 94.73% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.35% | 95.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.12% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.09% | 96.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.18% | 90.71% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.68% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.31% | 95.50% |
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.
| Mallotus japonicus |
| PubChem | 162967148 |
| LOTUS | LTS0136236 |
| wikiData | Q105375872 |