[5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-7-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate
| Internal ID | e6bba1c2-72cd-40b8-b431-97aa98473eae |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | [5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-7-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate |
| SMILES (Canonical) | C1=CC(=CC=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC(=O)C4C(C(C(C(O4)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC(=O)C4C(C(C(C(O4)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O |
| InChI | InChI=1S/C33H38O23/c34-6-12-15(37)19(41)24(46)32(52-12)55-27-11(51-31(49)29-22(44)21(43)23(45)30(48)54-29)5-10-14(17(27)39)18(40)28(26(50-10)8-1-3-9(36)4-2-8)56-33-25(47)20(42)16(38)13(7-35)53-33/h1-5,12-13,15-16,19-25,29-30,32-39,41-48H,6-7H2 |
| InChI Key | OGRVVKUWKLCQQS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H38O23 |
| Molecular Weight | 802.60 g/mol |
| Exact Mass | 802.18038746 g/mol |
| Topological Polar Surface Area (TPSA) | 382.00 Ų |
| XlogP | -3.50 |
| There are no found synonyms. |
![2D Structure of [5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-7-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/927a09f0-8615-11ee-8b9e-0337ea067e31.jpg "2D Structure of [5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-7-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate")
| 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 | 99.05% | 91.11% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 97.60% | 95.64% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.18% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.42% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.00% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.94% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.71% | 94.45% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.82% | 95.78% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.59% | 86.92% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.45% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.28% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.27% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.00% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.39% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.31% | 95.89% |
| CHEMBL3194 | P02766 | Transthyretin | 83.57% | 90.71% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 82.19% | 94.45% |
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.
| Carthamus tinctorius |
| PubChem | 163033451 |
| LOTUS | LTS0254820 |
| wikiData | Q105191796 |