[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
| Internal ID | 3605b8c5-95cd-4c88-a0b6-a212134d3457 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | [6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O |
| InChI | InChI=1S/C28H24O15/c29-9-18-25(42-27(39)11-5-15(33)20(35)16(34)6-11)22(37)23(38)28(41-18)43-26-21(36)19-14(32)7-13(31)8-17(19)40-24(26)10-1-3-12(30)4-2-10/h1-8,18,22-23,25,28-35,37-38H,9H2 |
| InChI Key | SFXDZVMCXMBNEK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H24O15 |
| Molecular Weight | 600.50 g/mol |
| Exact Mass | 600.11152005 g/mol |
| Topological Polar Surface Area (TPSA) | 253.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of [6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/bbbf7d70-864a-11ee-a744-15dbfb201a6d.jpg "2D Structure of [6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate")
| 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 | 99.52% | 91.11% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 98.94% | 95.64% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.53% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 96.52% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.93% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.41% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.14% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.53% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.27% | 86.33% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 90.97% | 95.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.81% | 94.73% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 86.42% | 83.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.82% | 86.92% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 83.67% | 97.53% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.61% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.22% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.04% | 97.09% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 82.32% | 96.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.64% | 94.42% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.29% | 96.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.69% | 90.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.47% | 94.33% |
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.
| Tellima grandiflora |
| PubChem | 162887512 |
| LOTUS | LTS0228450 |
| wikiData | Q105252116 |