1-(2,4,5-Trimethoxyphenyl)propan-2-one
| Internal ID | 3157d7ff-a0e3-428e-a303-eba64329cf7b |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Phenylpropanes |
| IUPAC Name | 1-(2,4,5-trimethoxyphenyl)propan-2-one |
| SMILES (Canonical) | CC(=O)CC1=CC(=C(C=C1OC)OC)OC |
| SMILES (Isomeric) | CC(=O)CC1=CC(=C(C=C1OC)OC)OC |
| InChI | InChI=1S/C12H16O4/c1-8(13)5-9-6-11(15-3)12(16-4)7-10(9)14-2/h6-7H,5H2,1-4H3 |
| InChI Key | AQZHZTTUVYQMIN-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.25 g/mol |
| Exact Mass | 224.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 1.60 |
| Acoramone |
| 2020-90-8 |
| 2,4,5-trimethoxyphenylacetone |
| 2-Propanone, 1-(2,4,5-trimethoxyphenyl)- |
| DLB6EBD3DX |
| 1-(2,4,5-Trimethoxyphenyl)-2-propanone |
| CHEMBL481233 |
| UNII-DLB6EBD3DX |
| SCHEMBL6554363 |
| DTXSID10174044 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL340 | P08684 | Cytochrome P450 3A4 |
28700 nM |
IC50 |
PMID: 15679319
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.94% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.16% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.91% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.03% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.60% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.20% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.74% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.73% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.72% | 96.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.67% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.31% | 85.14% |
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.
| Acorus calamus |
| Acorus calamus var. angustatus |
| Acorus gramineus |
| Piper cubeba |
| PubChem | 3083746 |
| NPASS | NPC150809 |
| ChEMBL | CHEMBL481233 |
| LOTUS | LTS0056952 |
| wikiData | Q83044092 |