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ScientificNameLabel
Quercetrin
PHCD compound ID : 1174
Chemical Names :
Quercetrin
Molecular Formula : C21H20O11
Molecular Weight : 448.100561
More Details :
Names & Synonyms: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one , 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one , 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromone
Smiles: Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O)c1ccc(c(c1)O)O
InChi : InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15+,17+,18-,21-/m0/s1
InChi Key : InChIKey=OXGUCUVFOIWWQJ-XIMSSLRFSA-N
PubChem ID : 5359430
Rotatable bond count : 3 Rule of five : 2
Hydrogen bond acceptor count : 11 Ionization potential : 9.019113
Hydrogen bond donor count : 7 Electric dipole moment : 4.468
XLogP : 0.802 VDW volume : 376.147125
Molecular weight : 448.100561 HOMO-LUMO gap : 8.070000
Herb list :
Refrences & Litretures:
  
120.      Journal:'Int. J. Biodvers. Conserv'      Year:'2011'      Volume:'3'      Page:'83'      DOI:''      Title:'Biochemical studies on Plantago major L. and Cyamopsis tetragonoloba L'
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