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ScientificNameLabel
Lucenin-2
PHCD compound ID : 1558
Chemical Names :
Lucenin-2
Molecular Formula : C27H30O16
Molecular Weight : 610.153385
More Details :
Names & Synonyms: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one , 2-[3,4-bis(oxidanyl)phenyl]-6,8-bis[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone
Smiles: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c([C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c(c2c1oc(cc2=O)c1ccc(c(c1)O)O)O
InChi : InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1
InChi Key : InChIKey=ZLPSOQFIIQIIAX-VQVVXJKKSA-N
PubChem ID : 442615
Rotatable bond count : 5 Rule of five : 2
Hydrogen bond acceptor count : 16 Ionization potential : 9.427796
Hydrogen bond donor count : 12 Electric dipole moment : 2.873
XLogP : -2.204 VDW volume : 511.517708
Molecular weight : 610.153385 HOMO-LUMO gap : 8.135000
Herb list :
Refrences & Litretures:
  
173.      Journal:'Food and Chemical Toxicology'      Year:'2009'      Volume:'47'      Page:'1372'      DOI:'10.1016/j.fct.2009.03.017'      Title:'Protective effect of quince (Cydonia oblonga Miller) fruit against oxidative hemolysis of human erythrocytes'
631.      Journal:'Phcog Rev'      Year:'2009'      Volume:'3'      Page:'186'      DOI:''      Title:'Passiflora Incarnata Linn: A Review on Morphology, Phytochemistry and Pharmacological Aspects'
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