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ScientificNameLabel
fukinolic acid
PHCD compound ID : 4257
Chemical Names :
fukinolic acid
Molecular Formula : C20H18O11
Molecular Weight : 434.084911
More Details :
Names & Synonyms: (2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxy-butanedioic acid , (2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-2-hydroxybutanedioic acid , (2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxybutanedioic acid , (2R,3S)-2-[[3,4-bis(oxidanyl)phenyl]methyl]-3-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-2-oxidanyl-butanedioic acid , (2R,3S)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-2-hydroxy-2-protocatechuyl-succinic acid
Smiles: O=C(O[C@@H]([C@@](C(=O)O)(Cc1ccc(c(c1)O)O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O
InChi : InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1
InChi Key : InChIKey=ACYXDIZTQDLTCB-UVIKLTKHSA-N
PubChem ID : 6441059
Rotatable bond count : 9 Rule of five : 2
Hydrogen bond acceptor count : 11 Ionization potential : 9.024216
Hydrogen bond donor count : 7 Electric dipole moment : 4.846
XLogP : 0.041 VDW volume : 378.291141
Molecular weight : 434.084911 HOMO-LUMO gap : 7.937000
Herb list :
Refrences & Litretures:
  
612.      Journal:'J. Agric. Food Chem'      Year:'2002'      Volume:'50'      Page:'7022'      DOI:'10.1021/jf020725h'      Title:'Black Cohosh (Cimicifuga racemosa L.) Protects against Menadione-Induced DNA Damage through Scavenging of Reactive Oxygen Species: Bioassay-Directed Isolation and Characterization of Active Principles'
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