5-[2,3-Dihydroxy-5-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy]benzene-1,2,3-triol
| Internal ID | d6e73833-6461-47ef-9c38-9896d73e5af3 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins |
| IUPAC Name | 5-[2,3-dihydroxy-5-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy]benzene-1,2,3-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H26O21/c37-11-1-20(43)33(21(44)2-11)53-14-5-17(40)28(48)24(8-14)56-25-9-18(41)29(49)31(51)35(25)55-13-6-22(45)34(23(46)7-13)57-26-10-19(42)30(50)32(52)36(26)54-12-3-15(38)27(47)16(39)4-12/h1-10,37-52H |
| InChI Key | BNSCJMSJSZSDFU-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C36H26O21 |
| Molecular Weight | 794.60 g/mol |
| Exact Mass | 794.09665783 g/mol |
| Topological Polar Surface Area (TPSA) | 370.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 5-[2,3-Dihydroxy-5-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy]benzene-1,2,3-triol](https://plantaedb.com/storage/docs/compounds/2023/11/6737a070-85ab-11ee-bff1-753936a8ef9e.jpg "2D Structure of 5-[2,3-Dihydroxy-5-(2,4,6-trihydroxyphenoxy)phenoxy]-4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-2-(3,4,5-trihydroxyphenoxy)phenoxy]phenoxy]benzene-1,2,3-triol")
| 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 | 98.05% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 97.13% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 95.37% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.09% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.95% | 90.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 88.61% | 96.12% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.73% | 99.17% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.64% | 95.78% |
| CHEMBL2424 | Q04760 | Glyoxalase I | 83.68% | 91.67% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 80.42% | 97.53% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.16% | 95.56% |
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.
| There are no matching plants. |
| PubChem | 162891389 |
| LOTUS | LTS0133113 |
| wikiData | Q104938997 |