Ethanone, 1-(5,7,8-trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-
| Internal ID | a8b93b93-f07f-431e-9948-649fc1540a9b |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 1-(5,7,8-trimethoxy-2,2-dimethylchromen-6-yl)ethanone |
| SMILES (Canonical) | CC(=O)C1=C(C2=C(C(=C1OC)OC)OC(C=C2)(C)C)OC |
| SMILES (Isomeric) | CC(=O)C1=C(C2=C(C(=C1OC)OC)OC(C=C2)(C)C)OC |
| InChI | InChI=1S/C16H20O5/c1-9(17)11-12(18-4)10-7-8-16(2,3)21-13(10)15(20-6)14(11)19-5/h7-8H,1-6H3 |
| InChI Key | NIRIGVIWLIYHJU-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H20O5 |
| Molecular Weight | 292.33 g/mol |
| Exact Mass | 292.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 2.40 |
| 482-07-5 |
| NIRIGVIWLIYHJU-UHFFFAOYSA-N |
| DTXSID701176514 |
| Ethanone, 1-(5,7,8-trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)- |
| 6-acetyl-5,7,8-trimethoxy-2,2-dimethyl-2h-1-benzopyran |
| 1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone |
| 1-(5,7,8-Trimethoxy-2,2-dimethyl-2H-chromen-6-yl)ethanone # |
| Ketone, methyl 5,7,8-trimethoxy-2,2-dimethyl-2H-1-benzopyran-6-yl |
| 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 | 96.05% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.27% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.63% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.39% | 85.14% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.98% | 85.30% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.26% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.17% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.87% | 86.33% |
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.
| Melicope pteleifolia |
| Tetradium ruticarpum |
| PubChem | 624052 |
| NPASS | NPC116034 |
| LOTUS | LTS0077696 |
| wikiData | Q105179970 |