(2R)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-2-methylbutan-1-one
| Internal ID | def7ef11-656b-4d2b-9149-77b1471347e4 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | (2R)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-2-methylbutan-1-one |
| SMILES (Canonical) | CCC(C)C(=O)C1=C2C(=C(C(=C1O)CC3=C(C(=C(C(=C3O)C)O)C(=O)C)O)O)C=CC(O2)(C)C |
| SMILES (Isomeric) | CC[C@@H](C)C(=O)C1=C2C(=C(C(=C1O)CC3=C(C(=C(C(=C3O)C)O)C(=O)C)O)O)C=CC(O2)(C)C |
| InChI | InChI=1S/C26H30O8/c1-7-11(2)19(28)18-24(33)16(22(31)14-8-9-26(5,6)34-25(14)18)10-15-20(29)12(3)21(30)17(13(4)27)23(15)32/h8-9,11,29-33H,7,10H2,1-6H3/t11-/m1/s1 |
| InChI Key | QDQSOVCXTNDOAI-LLVKDONJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O8 |
| Molecular Weight | 470.50 g/mol |
| Exact Mass | 470.19406791 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of (2R)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-2-methylbutan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/b5bfb250-855f-11ee-9fe8-cdb6f28c7c83.jpg "2D Structure of (2R)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-2-methylbutan-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 | 95.33% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.11% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.77% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.11% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.05% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.41% | 89.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.15% | 98.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.90% | 89.34% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.70% | 97.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.34% | 90.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.95% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.24% | 90.17% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.19% | 90.93% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 80.12% | 95.34% |
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.
| Capsicum annuum |
| Mallotus philippensis |
| PubChem | 162929680 |
| LOTUS | LTS0262123 |
| wikiData | Q105211258 |