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ScientificNameLabel
Naringin
PHCD compound ID : 1777
Chemical Names :
Naringenin-7-O-eneohesperidoside , Naringenin-7-O-neohesperidoside , Naringin
Molecular Formula : C27H32O14
Molecular Weight : 580.179206
More Details :
Names & Synonyms: (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one , (2S)-7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one , (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one , (2S)-7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5-oxidanyl-2,3-dihydrochromen-4-one , (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one
Smiles: OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](CC3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
InChi : InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
InChi Key : InChIKey=DFPMSGMNTNDNHN-ZPHOTFPESA-N
PubChem ID : 442428
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 14 Ionization potential : 9.368971
Hydrogen bond donor count : 8 Electric dipole moment : 2.882
XLogP : -1.35 VDW volume : 496.573713
Molecular weight : 580.179206 HOMO-LUMO gap : 8.953000
Herb list :
Refrences & Litretures:
  
200.      Journal:'Biochimie'      Year:'2010'      Volume:'92'      Page:'1115'      DOI:'10.1016/j.biochi.2010.03.027'      Title:'Antioxidant activity and phenolic pro?le of pistachio (Pistacia vera L., variety Bronte) seeds and skins'
569.      Journal:'J. Mass Spectrom'      Year:'2003'      Volume:'38'      Page:'35'      DOI:'10.1002/jms.395'      Title:'Liquid chromatographic/electrospray ionization tandem mass spectrometric study of the phenolic composition of cocoa (Theobroma cacao)'
658.      Journal:'Journal of Ethnopharmacology'      Year:'2007'      Volume:'109'      Page:'177'      DOI:'10.1016/j.jep.2006.09.006'      Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
858.      Journal:'Indo Am. J. P. Sci'      Year:'2019'      Volume:'6'      Page:'4138'      DOI:''      Title:'CHEMICAL COMPOSITION OF ILLICIUM VERUM (STAR ANISE) FRUIT'
942.      Journal:'Molecules'      Year:'2018'      Volume:'23'      Page:'1247'      DOI:'10.3390/molecules23061247'      Title:'Exploring New Antioxidant and Mineral Compounds from Nymphaea alba Wild-Grown in Danube Delta Biosphere'
955.      Journal:'Revista Brasileira de Farmacognosia'      Year:'2015'      Volume:'25'      Page:'134'      DOI:'10.1016/j.bjp.2015.02.008'      Title:'HPLC-DAD-MS/MS profiling of phenolics from Securigera securidaca ?owers and its anti-hyperglycemic and anti-hyperlipidemic activities'
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