(2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-methoxy-2,3-dihydrochromen-4-one
| Internal ID | 3b4e5427-a4ea-4281-8cf6-344e56835c84 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids |
| IUPAC Name | (2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-methoxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=C(C=CC2=C1OC(CC2=O)C3=CC=C(C=C3)O)O |
| SMILES (Isomeric) | COC1=C(C=CC2=C1O[C@@H](CC2=O)C3=CC=C(C=C3)O)O |
| InChI | InChI=1S/C16H14O5/c1-20-16-12(18)7-6-11-13(19)8-14(21-15(11)16)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1 |
| InChI Key | BMGKZGNJRBKRFC-AWEZNQCLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H14O5 |
| Molecular Weight | 286.28 g/mol |
| Exact Mass | 286.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 2.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.14% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 94.06% | 98.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.17% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.84% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.50% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.35% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.62% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.56% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.11% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.24% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.60% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.25% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.12% | 86.33% |
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.
| Helianthus annuus |
| PubChem | 163037739 |
| LOTUS | LTS0228089 |
| wikiData | Q104938386 |