(3,5-Dihydroxyphenyl)-[2-hydroxy-4-methoxy-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]methanone
| Internal ID | d2a92bd9-104d-467e-849f-eb4e9c4bc5de |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (3,5-dihydroxyphenyl)-[2-hydroxy-4-methoxy-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]methanone |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=CC(=CC(=C2C(=O)C3=CC(=CC(=C3)O)O)O)OC)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=CC(=CC(=C2C(=O)C3=CC(=CC(=C3)O)O)O)OC)O)O)O |
| InChI | InChI=1S/C20H22O10/c1-8-16(24)18(26)19(27)20(29-8)30-14-7-12(28-2)6-13(23)15(14)17(25)9-3-10(21)5-11(22)4-9/h3-8,16,18-24,26-27H,1-2H3 |
| InChI Key | VVKKQSDJJPISRJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O10 |
| Molecular Weight | 422.40 g/mol |
| Exact Mass | 422.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of (3,5-Dihydroxyphenyl)-[2-hydroxy-4-methoxy-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]methanone](https://plantaedb.com/storage/docs/compounds/2023/11/35-dihydroxyphenyl-2-hydroxy-4-methoxy-6-345-trihydroxy-6-methyloxan-2-yloxyphenylmethanone.jpg "2D Structure of (3,5-Dihydroxyphenyl)-[2-hydroxy-4-methoxy-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]methanone")
| 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 | 96.38% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.48% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.16% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.14% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.51% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.87% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.21% | 95.56% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.49% | 97.36% |
| CHEMBL3194 | P02766 | Transthyretin | 88.32% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.31% | 92.94% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.13% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.28% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.34% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.91% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.56% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.06% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.44% | 99.15% |
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.
| Hypericum elegans |
| PubChem | 162848648 |
| LOTUS | LTS0210483 |
| wikiData | Q105297709 |