2-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one
Internal ID | 51641535-d3d6-4f92-93d1-1137caaffd7b |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
IUPAC Name | 2-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one |
SMILES (Canonical) | C1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(C=CC(=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O)O)O)O)O |
SMILES (Isomeric) | C1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(C=CC(=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O)O)O)O)O |
InChI | InChI=1S/C26H28O15/c27-7-18-21(34)22(35)24(41-25-23(36)20(33)14(32)8-37-25)26(40-18)39-16-3-9(1-2-11(16)29)15-6-13(31)19-12(30)4-10(28)5-17(19)38-15/h1-6,14,18,20-30,32-36H,7-8H2/t14-,18-,20+,21-,22+,23+,24-,25+,26-/m1/s1 |
InChI Key | CGNJKBZZZGAXAX-WTPUPDJVSA-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 | -1.00 |
There are no found synonyms. |
![2D Structure of 2-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one 2D Structure of 2-[3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/d586e310-850b-11ee-a63c-25ad8287a6b9.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 | 99.64% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.02% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.76% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.60% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 94.82% | 98.95% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 93.00% | 86.92% |
CHEMBL3194 | P02766 | Transthyretin | 92.96% | 90.71% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.76% | 99.15% |
CHEMBL220 | P22303 | Acetylcholinesterase | 91.53% | 94.45% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 90.72% | 95.78% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.64% | 97.09% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 89.89% | 83.57% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.92% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.95% | 94.45% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.67% | 90.71% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.58% | 96.21% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.72% | 96.09% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.06% | 95.83% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.09% | 94.73% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.08% | 95.89% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 82.87% | 80.33% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.44% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.46% | 99.17% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.08% | 90.00% |
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.
Viburnum grandiflorum |
PubChem | 162913598 |
LOTUS | LTS0142793 |
wikiData | Q104957932 |