(2R,3R)-2-(2,6-dihydroxy-4-methoxyphenyl)-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
| Internal ID | d61ad4cc-ed9e-4491-98d9-17dac040aa9b |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (2R,3R)-2-(2,6-dihydroxy-4-methoxyphenyl)-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCCC(=CCOC1=C2C(=O)C(C(OC2=C(C(=C1)O)CC=C(C)C)C3=C(C=C(C=C3O)OC)O)O)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/COC1=C2C(=O)[C@@H]([C@H](OC2=C(C(=C1)O)CC=C(C)C)C3=C(C=C(C=C3O)OC)O)O)/C)C |
| InChI | InChI=1S/C31H38O8/c1-17(2)8-7-9-19(5)12-13-38-25-16-22(32)21(11-10-18(3)4)30-27(25)28(35)29(36)31(39-30)26-23(33)14-20(37-6)15-24(26)34/h8,10,12,14-16,29,31-34,36H,7,9,11,13H2,1-6H3/b19-12+/t29-,31+/m0/s1 |
| InChI Key | DQVPWRKEYWJISQ-IJUPGZLISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H38O8 |
| Molecular Weight | 538.60 g/mol |
| Exact Mass | 538.25666817 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of (2R,3R)-2-(2,6-dihydroxy-4-methoxyphenyl)-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/147db210-8567-11ee-bb40-894dd765d2aa.jpg "2D Structure of (2R,3R)-2-(2,6-dihydroxy-4-methoxyphenyl)-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dihydroxy-8-(3-methylbut-2-enyl)-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 | 98.69% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.72% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.91% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.17% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.02% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.20% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.96% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.85% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.25% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.56% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.40% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.01% | 91.07% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.25% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.45% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.28% | 94.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.63% | 92.08% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.52% | 91.49% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.59% | 96.00% |
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.
| Sophora koreensis |
| PubChem | 163192895 |
| LOTUS | LTS0085909 |
| wikiData | Q104987210 |