(2R,3R)-2-[5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl]-3,7-dihydroxy-2,3-dihydrochromen-4-one
| Internal ID | bbdf9655-9f03-44da-9822-512c2aa6bc4a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 3-prenylated flavans > 3-prenylated flavanones |
| IUPAC Name | (2R,3R)-2-[5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl]-3,7-dihydroxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H30O10/c1-16-10-24(17-2-9-27(39)26(12-17)35-34(44)33(43)23-8-5-20(38)15-30(23)45-35)31(32(42)22-7-4-19(37)14-29(22)41)25(11-16)21-6-3-18(36)13-28(21)40/h2-10,12-15,24-25,31,34-41,44H,11H2,1H3/t24-,25+,31-,34-,35+/m0/s1 |
| InChI Key | OXRNOBBGGNLAOV-JIUDMKAASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H30O10 |
| Molecular Weight | 610.60 g/mol |
| Exact Mass | 610.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 185.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of (2R,3R)-2-[5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl]-3,7-dihydroxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/c9efcfc0-86b1-11ee-bf9f-d955eb84fa21.jpg "2D Structure of (2R,3R)-2-[5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl]-3,7-dihydroxy-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 | 97.74% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.78% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.54% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.12% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.72% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.57% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.48% | 97.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 91.02% | 95.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.83% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.76% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.34% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.78% | 98.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.88% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.79% | 91.19% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 85.69% | 90.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.60% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.11% | 93.40% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.77% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.24% | 94.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 82.85% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.79% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.25% | 90.24% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.54% | 99.15% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.36% | 85.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.89% | 100.00% |
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.
| Morus macroura |
| PubChem | 162949244 |
| LOTUS | LTS0211635 |
| wikiData | Q105202895 |