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ScientificNameLabel
Myricetin-3-O-ramnoside
PHCD compound ID : 3230
Chemical Names :
Myricetin-3-O-rhamnoside , Myricetin-3-O-ramnoside
Molecular Formula : C21H20O12
Molecular Weight : 464.095476
More Details :
Names & Synonyms: 2-[3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-phenyl]-3,5,7-trihydroxy-chromen-4-one , 2-[3,4-dihydroxy-5-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]phenyl]-3,5,7-trihydroxy-1-benzopyran-4-one , 2-[3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-3,5,7-trihydroxychromen-4-one , 2-[3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one , 2-[3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-phenyl]-3,5,7-trihydroxy-chromone
Smiles: Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1cc(O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)c(c(c1)O)O
InChi : InChI=1S/C21H20O12/c1-6-14(25)17(28)19(30)21(31-6)33-12-3-7(2-10(24)15(12)26)20-18(29)16(27)13-9(23)4-8(22)5-11(13)32-20/h2-6,14,17,19,21-26,28-30H,1H3/t6-,14-,17+,19+,21-/m0/s1
InChi Key : InChIKey=KPKDFSLIRPVPJF-YDOQJWOYSA-N
PubChem ID : 56843093
Rotatable bond count : 3 Rule of five : 2
Hydrogen bond acceptor count : 12 Ionization potential : 8.763118
Hydrogen bond donor count : 8 Electric dipole moment : 2.443
XLogP : 1.15 VDW volume : 384.937352
Molecular weight : 464.095476 HOMO-LUMO gap : 7.520000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
700.      Journal:'Food Chemistry'      Year:'2010'      Volume:'123'      Page:'1242'      DOI:'10.1016/j.foodchem.2010.05.094'      Title:'Chemical composition and antioxidant activities of Myrtus communis L. berries extracts'
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