dimethyl (1S,2R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxylate
| Internal ID | 418d58b6-a490-4eca-84a6-bbb79e3e6b52 |
| Taxonomy | Lignans, neolignans and related compounds > Aryltetralin lignans |
| IUPAC Name | dimethyl (1S,2R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxylate |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C2C(C(=CC3=CC(=C(C(=C23)OC)O)OC)C(=O)OC)C(=O)OC |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H](C(=CC3=CC(=C(C(=C23)OC)O)OC)C(=O)OC)C(=O)OC |
| InChI | InChI=1S/C24H26O10/c1-29-14-9-12(10-15(30-2)20(14)25)17-18-11(8-16(31-3)21(26)22(18)32-4)7-13(23(27)33-5)19(17)24(28)34-6/h7-10,17,19,25-26H,1-6H3/t17-,19-/m0/s1 |
| InChI Key | KBCZTZCGEJFBKI-HKUYNNGSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H26O10 |
| Molecular Weight | 474.50 g/mol |
| Exact Mass | 474.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 2.80 |
| 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 | 99.32% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.27% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.78% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.29% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.71% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.48% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.22% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.09% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.77% | 83.82% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.65% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.39% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.11% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.91% | 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.
| Fibraurea tinctoria |
| PubChem | 11754647 |
| LOTUS | LTS0111714 |
| wikiData | Q105138112 |