Loropetalin D
| Internal ID | ba80dd8c-20e4-4623-8bc2-0ee79da5bda7 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | [(3S,4S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4C([C@H]([C@@H](C(O4)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O |
| InChI | InChI=1S/C35H28O19/c36-15-3-1-12(2-4-15)30-31(28(46)24-17(38)9-16(37)10-22(24)51-30)54-35-32(53-34(49)14-7-20(41)26(44)21(42)8-14)29(47)27(45)23(52-35)11-50-33(48)13-5-18(39)25(43)19(40)6-13/h1-10,23,27,29,32,35-45,47H,11H2/t23?,27-,29+,32?,35+/m1/s1 |
| InChI Key | GAWOMYRLBFCSGL-DVOXQHAUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C35H28O19 |
| Molecular Weight | 752.60 g/mol |
| Exact Mass | 752.12247866 g/mol |
| Topological Polar Surface Area (TPSA) | 320.00 Ų |
| XlogP | 2.50 |
| Kaempferol 3-(2'',6''-digalloylglucoside) |
| LMPK12111936 |
| 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 |
|---|---|---|---|---|
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 99.85% | 95.64% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.31% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.48% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.18% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 96.86% | 90.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 96.70% | 95.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.17% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.47% | 98.95% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 93.01% | 83.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.81% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.79% | 86.33% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 91.08% | 95.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.57% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.37% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.00% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.93% | 99.15% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.91% | 94.42% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.54% | 92.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.31% | 97.09% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 83.14% | 97.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.63% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.34% | 99.23% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.09% | 94.33% |
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.
| Loropetalum chinense |
| PubChem | 44259006 |
| LOTUS | LTS0053020 |
| wikiData | Q105005676 |