(3R)-5,7-dihydroxy-3-[(2-hydroxy-4-methoxyphenyl)methyl]-8-methoxy-6-methyl-2,3-dihydrochromen-4-one
| Internal ID | 4e4c5ccb-fb69-41d1-ae8d-4c40289694b9 |
| Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids > Homoisoflavans > Homoisoflavanones |
| IUPAC Name | (3R)-5,7-dihydroxy-3-[(2-hydroxy-4-methoxyphenyl)methyl]-8-methoxy-6-methyl-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC1=C(C2=C(C(=C1O)OC)OCC(C2=O)CC3=C(C=C(C=C3)OC)O)O |
| SMILES (Isomeric) | CC1=C(C2=C(C(=C1O)OC)OC[C@H](C2=O)CC3=C(C=C(C=C3)OC)O)O |
| InChI | InChI=1S/C19H20O7/c1-9-15(21)14-17(23)11(8-26-18(14)19(25-3)16(9)22)6-10-4-5-12(24-2)7-13(10)20/h4-5,7,11,20-22H,6,8H2,1-3H3/t11-/m1/s1 |
| InChI Key | FMFZMWWKEGLLRS-LLVKDONJSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C19H20O7 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (3R)-5,7-dihydroxy-3-[(2-hydroxy-4-methoxyphenyl)methyl]-8-methoxy-6-methyl-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3r-57-dihydroxy-3-2-hydroxy-4-methoxyphenylmethyl-8-methoxy-6-methyl-23-dihydrochromen-4-one.jpg "2D Structure of (3R)-5,7-dihydroxy-3-[(2-hydroxy-4-methoxyphenyl)methyl]-8-methoxy-6-methyl-2,3-dihydrochromen-4-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 | 99.20% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.53% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.44% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.07% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.15% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.07% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.99% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.17% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.67% | 99.17% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.97% | 94.80% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 87.60% | 93.18% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.25% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.84% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.06% | 91.07% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.91% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.43% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.07% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.97% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.17% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.15% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.92% | 94.45% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.56% | 96.12% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.02% | 90.71% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.01% | 97.28% |
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.
| Ophiopogon japonicus |
| Polygonatum odoratum |
| PubChem | 637306 |
| LOTUS | LTS0031546 |
| wikiData | Q104997824 |