(2R,3R)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-6,8-dimethyl-2,3-dihydrochromen-4-one
| Internal ID | 3502d484-934d-4f15-94c8-6023db1b969d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
| IUPAC Name | (2R,3R)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-6,8-dimethyl-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC1=C2C(=C(C(=C1OC)C)OC)C(=O)C(C(O2)C3=CC=C(C=C3)O)O |
| SMILES (Isomeric) | CC1=C2C(=C(C(=C1OC)C)OC)C(=O)[C@@H]([C@H](O2)C3=CC=C(C=C3)O)O |
| InChI | InChI=1S/C19H20O6/c1-9-16(23-3)10(2)18-13(17(9)24-4)14(21)15(22)19(25-18)11-5-7-12(20)8-6-11/h5-8,15,19-20,22H,1-4H3/t15-,19+/m0/s1 |
| InChI Key | JRNGVSOQBPCIQW-HNAYVOBHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H20O6 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.22% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.47% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.27% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.15% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.32% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.07% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.76% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.40% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.06% | 94.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.10% | 90.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.00% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.24% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.41% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.02% | 96.09% |
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.
| Abies nephrolepis |
| PubChem | 162866970 |
| LOTUS | LTS0175569 |
| wikiData | Q105134008 |