(2R)-8-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
| Internal ID | 71b47326-a679-4f60-ac14-474139bdc3dc |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (2R)-8-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(C)(C(CC1=C(C=CC2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)O)O |
| SMILES (Isomeric) | CC(C)([C@@H](CC1=C(C=CC2=C1O[C@H](CC2=O)C3=CC=C(C=C3)O)O)O)O |
| InChI | InChI=1S/C20H22O6/c1-20(2,25)18(24)9-14-15(22)8-7-13-16(23)10-17(26-19(13)14)11-3-5-12(21)6-4-11/h3-8,17-18,21-22,24-25H,9-10H2,1-2H3/t17-,18-/m1/s1 |
| InChI Key | MCDSHLATEYMKDN-QZTJIDSGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (2R)-8-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2r-8-2r-23-dihydroxy-3-methylbutyl-7-hydroxy-2-4-hydroxyphenyl-23-dihydrochromen-4-one.jpg "2D Structure of (2R)-8-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-hydroxy-2-(4-hydroxyphenyl)-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.21% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.00% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.82% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.23% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.13% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.10% | 95.56% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 91.97% | 90.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.84% | 96.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.37% | 98.35% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.32% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.28% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.28% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.42% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.37% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.70% | 93.56% |
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.
| Brosimum acutifolium |
| Calophyllum brasiliense |
| PubChem | 162892327 |
| LOTUS | LTS0229356 |
| wikiData | Q105112052 |