(3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl)methyl 3,4-dihydroxy-5-methoxybenzoate
| Internal ID | dbd8d576-abbb-40b8-a605-792767decb19 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives > Gallic acid and derivatives |
| IUPAC Name | (3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl)methyl 3,4-dihydroxy-5-methoxybenzoate |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)O)C(=O)OCC2C(C(C3C(O2)C4=C(C(=C(C=C4C(=O)O3)O)OC)O)O)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)O)C(=O)OCC2C(C(C3C(O2)C4=C(C(=C(C=C4C(=O)O3)O)OC)O)O)O |
| InChI | InChI=1S/C22H22O13/c1-31-11-4-7(3-9(23)14(11)25)21(29)33-6-12-15(26)17(28)20-19(34-12)13-8(22(30)35-20)5-10(24)18(32-2)16(13)27/h3-5,12,15,17,19-20,23-28H,6H2,1-2H3 |
| InChI Key | OZRNWDQWHRNDOH-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H22O13 |
| Molecular Weight | 494.40 g/mol |
| Exact Mass | 494.10604075 g/mol |
| Topological Polar Surface Area (TPSA) | 202.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of (3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl)methyl 3,4-dihydroxy-5-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/06f6a950-85e3-11ee-88c8-419d31e9991a.jpg "2D Structure of (3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl)methyl 3,4-dihydroxy-5-methoxybenzoate")
| 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 | 98.38% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.09% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.95% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.70% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.28% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.93% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.80% | 98.75% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.60% | 95.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.79% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.35% | 96.00% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 85.26% | 98.21% |
| CHEMBL3194 | P02766 | Transthyretin | 83.97% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.24% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.93% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.67% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.36% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.31% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.49% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.38% | 96.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.29% | 92.50% |
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.
| Astilbe rubra |
| PubChem | 75993257 |
| LOTUS | LTS0062198 |
| wikiData | Q105204063 |