(2R,3S)-3-[5-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
| Internal ID | d4d458db-2cd4-4d40-9a9a-56fac9287296 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
| IUPAC Name | (2R,3S)-3-[5-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H22O9/c31-17-5-3-16(4-6-17)30-27(29(38)28-25(37)13-19(33)14-26(28)39-30)21-11-15(2-10-23(21)35)1-9-22(34)20-8-7-18(32)12-24(20)36/h1-14,27,30-33,35-37H/b9-1+/t27-,30+/m1/s1 |
| InChI Key | OEWNRXFOCUQZMN-AICVNBNXSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C30H22O9 |
| Molecular Weight | 526.50 g/mol |
| Exact Mass | 526.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 165.00 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of (2R,3S)-3-[5-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/aec3b4a0-873a-11ee-bf9c-c33a92a85346.jpg "2D Structure of (2R,3S)-3-[5-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxyphenyl]-5,7-dihydroxy-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.43% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.26% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 95.16% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.37% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.18% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.34% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.22% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.74% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.35% | 99.15% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 86.84% | 96.12% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.82% | 90.93% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.37% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.86% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.28% | 93.40% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.74% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.64% | 99.17% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 82.62% | 96.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.38% | 80.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.28% | 91.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.76% | 90.00% |
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.
| Ochna integerrima |
| PubChem | 162998572 |
| LOTUS | LTS0066292 |
| wikiData | Q105190610 |