2,2',4'-Trihydroxy-6'-methoxy-3',5'-dimethylchalcone
| Internal ID | 00cd6e41-973d-4a41-aeb3-4cdea640114a |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones |
| IUPAC Name | (E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one |
| SMILES (Canonical) | CC1=C(C(=C(C(=C1O)C(=O)C=CC2=CC=CC=C2O)OC)C)O |
| SMILES (Isomeric) | CC1=C(C(=C(C(=C1O)C(=O)/C=C/C2=CC=CC=C2O)OC)C)O |
| InChI | InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-8-12-6-4-5-7-13(12)19/h4-9,19,21-22H,1-3H3/b9-8+ |
| InChI Key | SPWBEELZNSXNME-CMDGGOBGSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C18H18O5 |
| Molecular Weight | 314.30 g/mol |
| Exact Mass | 314.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 3.90 |
| 2,2',4'-trihydroxy-6'-methoxy-3',5'-dimethylchalcone |
| CHEMBL509947 |
| SCHEMBL664090 |
| BDBM50482871 |
| (E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethyl-phenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one |
| Q27134808 |
| (2E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one |
| (E)-1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(2-hydroxyphenyl)prop-2-en-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 | 96.55% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.20% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.48% | 96.00% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 87.82% | 98.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.38% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.27% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.93% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.59% | 94.73% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 83.02% | 98.11% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.29% | 94.08% |
| CHEMBL3194 | P02766 | Transthyretin | 80.87% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.75% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.67% | 99.23% |
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.
| Psorothamnus polydenius |
| Syzygium nervosum |
| PubChem | 11771403 |
| NPASS | NPC12165 |
| ChEMBL | CHEMBL509947 |
| LOTUS | LTS0196756 |
| wikiData | Q27134808 |