3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Internal ID | 0fea7df9-d606-422c-9174-727145ada238 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | 3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
SMILES (Canonical) | C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)(CO)O |
SMILES (Isomeric) | C1[C@@]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O)(CO)O |
InChI | InChI=1S/C26H28O15/c27-8-26(36)9-38-25(23(26)35)37-7-15-17(31)19(33)20(34)24(40-15)41-22-18(32)16-13(30)5-12(29)6-14(16)39-21(22)10-1-3-11(28)4-2-10/h1-6,15,17,19-20,23-25,27-31,33-36H,7-9H2/t15-,17-,19+,20-,23+,24+,25-,26-/m1/s1 |
InChI Key | LDTHJMJBNIWQMR-GCXJSGCHSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H28O15 |
Molecular Weight | 580.50 g/mol |
Exact Mass | 580.14282018 g/mol |
Topological Polar Surface Area (TPSA) | 245.00 Ų |
XlogP | -1.10 |
There are no found synonyms. |
![2D Structure of 3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 2D Structure of 3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/70fc2ca0-8154-11ee-8cc8-8b0037f5ff2a.jpg)
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 | 99.72% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.69% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.99% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 95.09% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.68% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.54% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.28% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.70% | 86.33% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.75% | 99.15% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 89.45% | 95.93% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.93% | 99.23% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.82% | 86.92% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 85.73% | 95.64% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.27% | 95.83% |
CHEMBL220 | P22303 | Acetylcholinesterase | 84.99% | 94.45% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.79% | 94.75% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.05% | 94.73% |
CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 83.95% | 96.69% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 83.86% | 98.35% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 83.16% | 80.33% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.71% | 95.53% |
CHEMBL4530 | P00488 | Coagulation factor XIII | 82.68% | 96.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.52% | 100.00% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.37% | 95.78% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.33% | 95.89% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.11% | 95.89% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.22% | 92.94% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.14% | 96.09% |
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.
Solidago altissima |
Wisteria floribunda |
PubChem | 16724600 |
LOTUS | LTS0102784 |
wikiData | Q105150368 |