Mallotochroman
| Internal ID | f5180a7a-93fd-4170-b9bb-e6e0f43a0457 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 1-[3-[(8-acetyl-5,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone |
| SMILES (Canonical) | CC1=C(C(=C(C(=C1OC)CC2=C(C(=C3C(=C2O)CCC(O3)(C)C)C(=O)C)O)O)C(=O)C)O |
| SMILES (Isomeric) | CC1=C(C(=C(C(=C1OC)CC2=C(C(=C3C(=C2O)CCC(O3)(C)C)C(=O)C)O)O)C(=O)C)O |
| InChI | InChI=1S/C24H28O8/c1-10-18(27)16(11(2)25)21(30)15(22(10)31-6)9-14-19(28)13-7-8-24(4,5)32-23(13)17(12(3)26)20(14)29/h27-30H,7-9H2,1-6H3 |
| InChI Key | KVVSBQGSDGQWJC-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H28O8 |
| Molecular Weight | 444.50 g/mol |
| Exact Mass | 444.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 4.20 |
| CHEMBL490169 |
| 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 | 98.92% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.18% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.41% | 94.45% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.74% | 89.05% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.44% | 94.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.01% | 97.93% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.12% | 91.07% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.95% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.54% | 89.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.49% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.06% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.00% | 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.
| Mallotus japonicus |
| PubChem | 10003569 |
| LOTUS | LTS0128549 |
| wikiData | Q105146757 |