3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
| Internal ID | a74c8769-8e00-4bae-b9ea-7e3b8c302ca4 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | 3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H30O16/c1-7-16(32)19(35)21(37)26(39-7)42-23-8(2)40-27(22(38)20(23)36)43-25-18(34)15-11(29)5-10(28)6-14(15)41-24(25)9-3-12(30)17(33)13(31)4-9/h3-8,16,19-23,26-33,35-38H,1-2H3/t7-,8-,16-,19+,20-,21+,22+,23-,26-,27-/m0/s1 |
| InChI Key | UXUUBIPYEBZHCJ-FTZGBHFCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H30O16 |
| Molecular Weight | 610.50 g/mol |
| Exact Mass | 610.15338487 g/mol |
| Topological Polar Surface Area (TPSA) | 266.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of 3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/16c14510-85d0-11ee-8b6f-473ce692fc04.jpg "2D Structure of 3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one")
| 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 | 99.62% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.19% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.13% | 91.49% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 96.17% | 95.64% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.17% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.70% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.35% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.11% | 94.73% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 92.01% | 97.36% |
| CHEMBL3194 | P02766 | Transthyretin | 89.84% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.34% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.54% | 99.17% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.82% | 94.42% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.87% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.77% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.91% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.71% | 90.00% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.43% | 91.38% |
| CHEMBL2424 | Q04760 | Glyoxalase I | 80.56% | 91.67% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.49% | 81.11% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.14% | 96.00% |
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.
| Azara microphylla |
| PubChem | 102148679 |
| LOTUS | LTS0102216 |
| wikiData | Q105281039 |