Myrigalon B
| Internal ID | 83f39a16-da3b-436f-9b75-1a3d008c1c2e |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones |
| IUPAC Name | 1-(2,6-dihydroxy-4-methoxy-3,5-dimethylphenyl)-3-phenylpropan-1-one |
| SMILES (Canonical) | CC1=C(C(=C(C(=C1OC)C)O)C(=O)CCC2=CC=CC=C2)O |
| SMILES (Isomeric) | CC1=C(C(=C(C(=C1OC)C)O)C(=O)CCC2=CC=CC=C2)O |
| InChI | InChI=1S/C18H20O4/c1-11-16(20)15(17(21)12(2)18(11)22-3)14(19)10-9-13-7-5-4-6-8-13/h4-8,20-21H,9-10H2,1-3H3 |
| InChI Key | SGSWJLOWQDDBPP-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H20O4 |
| Molecular Weight | 300.30 g/mol |
| Exact Mass | 300.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 4.00 |
| 1-(2,6-Dihydroxy-4-methoxy-3,5-dimethylphenyl)-3-phenylpropan-1-one |
| 34328-55-7 |
| Myrigalone B |
| CHEBI:174874 |
| DTXSID101317980 |
| LMPK12120490 |
| 1-(2,6-dihydroxy-4-methoxy-3,5-dimethyl-phenyl)-3-phenyl-propan-1-one |
| 1-(2,6-Dihydroxy-4-methoxy-3,5-dimethylphenyl)-3-phenyl-1-propanone |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.85% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.43% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.15% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.31% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.05% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.53% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.46% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.25% | 99.17% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.14% | 94.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.98% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.44% | 96.00% |
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.
| Ceratiola ericoides |
| Myrica gale |
| PubChem | 10086169 |
| LOTUS | LTS0135689 |
| wikiData | Q105252591 |