[(2S,3S,4R,5R,6S)-4,5-dihydroxy-2-[5-hydroxy-7-methoxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate
| Internal ID | 43743925-a914-4e0e-b045-704af10c79c7 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | [(2S,3S,4R,5R,6S)-4,5-dihydroxy-2-[5-hydroxy-7-methoxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H26O16/c1-9-20(35)24(39)27(44-28(40)11-5-16(33)22(37)17(34)6-11)29(42-9)45-26-23(38)19-13(30)7-12(41-2)8-18(19)43-25(26)10-3-14(31)21(36)15(32)4-10/h3-9,20,24,27,29-37,39H,1-2H3/t9-,20-,24+,27-,29-/m0/s1 |
| InChI Key | SFIHNCQUDFDWQA-VRKPNHSCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H26O16 |
| Molecular Weight | 630.50 g/mol |
| Exact Mass | 630.12208474 g/mol |
| Topological Polar Surface Area (TPSA) | 262.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of [(2S,3S,4R,5R,6S)-4,5-dihydroxy-2-[5-hydroxy-7-methoxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/b1d39bd0-8558-11ee-afdd-af3d235957e7.jpg "2D Structure of [(2S,3S,4R,5R,6S)-4,5-dihydroxy-2-[5-hydroxy-7-methoxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-6-methyloxan-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 | 99.49% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.96% | 91.49% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 97.85% | 95.64% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.37% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.35% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.74% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.52% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.51% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 92.49% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 92.03% | 94.42% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.95% | 85.14% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 90.52% | 81.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.11% | 90.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 89.67% | 83.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.45% | 97.36% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 88.86% | 87.67% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.33% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.79% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.75% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.18% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.75% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.67% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.08% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.98% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.63% | 91.19% |
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.
| Acacia confusa |
| PubChem | 163024461 |
| LOTUS | LTS0115681 |
| wikiData | Q105251765 |