(2S,3R)-8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Internal ID | 30050530-3521-4901-b307-25ec6ea3d089 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
IUPAC Name | (2S,3R)-8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
SMILES (Canonical) | C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(C(C5=O)O)C6=CC(=C(C=C6)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4O[C@H]([C@H](C5=O)O)C6=CC(=C(C=C6)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O |
InChI | InChI=1S/C36H32O17/c37-11-22-27(44)30(47)32(49)36(52-22)51-21-10-19(43)24-29(46)31(48)34(13-3-6-16(40)17(41)7-13)53-35(24)25(21)26-28(45)23-18(42)8-15(39)9-20(23)50-33(26)12-1-4-14(38)5-2-12/h1-10,22,26-27,30-34,36-44,47-49H,11H2/t22-,26+,27-,30+,31+,32-,33-,34+,36-/m1/s1 |
InChI Key | GOWNNUHWKBKTKG-NKNXQWIMSA-N |
Popularity | 0 references in papers |
Molecular Formula | C36H32O17 |
Molecular Weight | 736.60 g/mol |
Exact Mass | 736.16394955 g/mol |
Topological Polar Surface Area (TPSA) | 294.00 Ų |
XlogP | 1.80 |
There are no found synonyms. |
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 | 99.50% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.28% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.50% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.20% | 95.56% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.98% | 99.15% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.54% | 94.73% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.24% | 97.09% |
CHEMBL3194 | P02766 | Transthyretin | 89.68% | 90.71% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.20% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.20% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 85.98% | 98.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.70% | 99.23% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 85.60% | 91.49% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.53% | 99.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.24% | 94.45% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.00% | 96.21% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.96% | 95.78% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.47% | 86.92% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 80.13% | 95.93% |
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.
Garcinia dulcis |
Garcinia multiflora |
PubChem | 162821331 |
LOTUS | LTS0192328 |
wikiData | Q105014644 |