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ScientificNameLabel
Luteolin 7-O-malonylglucoside
PHCD compound ID : 1095
Chemical Names :
Luteolin 7-O-beta-D-(6"-O-malonyl)-glucoside , Luteolin 7-O-malonylglucoside
Molecular Formula : C24H22O14
Molecular Weight : 534.100955
More Details :
Names & Synonyms: 3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-3-oxo-propanoic acid , 3-[[(2R,3S,4S,5R,6S)-6-[[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-1-benzopyran-7-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-3-oxopropanoic acid , 3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid , 3-[[(2R,3S,4S,5R,6S)-6-[2-[3,4-bis(oxidanyl)phenyl]-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-3-oxidanylidene-propanoic acid , 3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-keto-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-3-keto-propionic acid
Smiles: OC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C24H22O14/c25-11-2-1-9(3-12(11)26)15-6-14(28)20-13(27)4-10(5-16(20)37-15)36-24-23(34)22(33)21(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,21-27,32-34H,7-8H2,(H,29,30)/t17-,21-,22+,23-,24-/m1/s1
InChi Key : InChIKey=RNDGJCZQVKFBPI-ASDZUOGYSA-N
PubChem ID : 5281669
Rotatable bond count : 8 Rule of five : 2
Hydrogen bond acceptor count : 14 Ionization potential : 9.352548
Hydrogen bond donor count : 7 Electric dipole moment : 7.898
XLogP : 0.272 VDW volume : 449.132842
Molecular weight : 534.100955 HOMO-LUMO gap : 8.238000
Herb list :
Refrences & Litretures:
  
112.      Journal:'Journal of Ethnopharmacology'      Year:'2012'      Volume:'141'      Page:'908'      DOI:'10.1016/j.jep.2012.03.028'      Title:'Neuropharmacological study of Dracocephalum moldavica L. (Lamiaceae) in mice: Sedative effect and chemical analysis of an aqueous extract'
608.      Journal:'Food Chemistry'      Year:'2006'      Volume:'95'      Page:'221'      DOI:'10.1016/j.foodchem.2005.01.013'      Title:'Characterization of Violetto di Toscana, a typical Italian variety of artichoke (Cynara scolymus L.)'
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