3-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
| Internal ID | d732ae40-c1f6-4d15-9ac3-9a92ba282c0f |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | 3-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H46O24/c1-11-21(44)29(59-33-26(49)22(45)17(43)7-53-33)27(50)34(56-11)54-8-19-23(46)25(48)31(61-36-32(51)37(52,9-38)10-55-36)35(58-19)60-30-24(47)20-16(42)5-13(39)6-18(20)57-28(30)12-2-3-14(40)15(41)4-12/h2-6,11,17,19,21-23,25-27,29,31-36,38-46,48-52H,7-10H2,1H3/t11-,17-,19-,21-,22+,23+,25+,26-,27+,29+,31-,32+,33+,34+,35+,36+,37-/m1/s1 |
| InChI Key | DJANCFXQRLPCSH-UTQPBBJUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H46O24 |
| Molecular Weight | 874.70 g/mol |
| Exact Mass | 874.23790233 g/mol |
| Topological Polar Surface Area (TPSA) | 383.00 Ų |
| XlogP | -4.00 |
| There are no found synonyms. |
![2D Structure of 3-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/11242fb0-8467-11ee-9782-c95c2328f5e0.jpg "2D Structure of 3-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-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 | 99.89% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.11% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.70% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.36% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.35% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.81% | 94.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.06% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.93% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.82% | 94.45% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.18% | 86.92% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.00% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.71% | 94.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.66% | 99.15% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.36% | 97.36% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.67% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.59% | 99.23% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 88.29% | 95.83% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.36% | 96.09% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 86.81% | 95.53% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.24% | 90.00% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 85.43% | 80.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.78% | 100.00% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 83.32% | 92.78% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.28% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.59% | 95.89% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.40% | 80.78% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.37% | 94.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.20% | 92.94% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.87% | 92.88% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.31% | 94.42% |
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.
| Astragalus caprinus |
| PubChem | 162971635 |
| LOTUS | LTS0095371 |
| wikiData | Q104981878 |