Skip Navigation Links
ScientificNameLabel
Vitexin
PHCD compound ID : 3164
Chemical Names :
Vitexin , Apigenin-8-C-glucoside
Molecular Formula : C21H20O10
Molecular Weight : 432.105647
More Details :
Names & Synonyms: 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one , 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one , 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one , 8-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one , 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(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)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O
InChi : InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1
InChi Key : InChIKey=SGEWCQFRYRRZDC-VPRICQMDSA-N
PubChem ID : 5280441
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 10 Ionization potential : 9.390562
Hydrogen bond donor count : 7 Electric dipole moment : 4.027
XLogP : -0.707 VDW volume : 367.356898
Molecular weight : 432.105647 HOMO-LUMO gap : 8.324000
Herb list :
Refrences & Litretures:
  
434.      Journal:'Natural Product Research'      Year:'2004'      Volume:'18'      Page:'211'      DOI:'10.1080/14786410310001620673'      Title:'FLAVONOIDS OF CRATAEGUS MICROPHYLLA'
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)'
607.      Journal:'Chemistry of Natural Compounds'      Year:'2007'      Volume:'43'      Page:'239'      DOI:''      Title:'CHEMICAL COMPOSITION OF Cynara scolymus LEAVES'
630.      Journal:'Phytomedicine'      Year:'2010'      Volume:'17'      Page:'940'      DOI:'10.1016/j.phymed.2010.03.002'      Title:'Passiflora incarnata L. (Passionflower) extracts elicit GABA currents in hippocampal neurons in vitro, and show anxiogenic and anticonvulsant effects in vivo, varying with extraction method'
631.      Journal:'Phcog Rev'      Year:'2009'      Volume:'3'      Page:'186'      DOI:''      Title:'Passiflora Incarnata Linn: A Review on Morphology, Phytochemistry and Pharmacological Aspects'
724.      Journal:'J. Braz. Chem. Soc'      Year:'2008'      Volume:'19'      Page:'903'      DOI:''      Title:'HPLC Microfractionation of Flavones and Antioxidant (Radical Scavenging) Activity of Saccharum officinarum L'
980.      Journal:'Chemistry of Natural Compounds'      Year:'1969'      Volume:'5'      Page:'199'      DOI:'10.1007/BF00683829'      Title:'Flavonoids of Crataegus. The structure of cratenacin'
983.      Journal:'Foods'      Year:'2020'      Volume:'9'      Page:'436'      DOI:'10.3390/foods9040436'      Title:'Physicochemical Characterization, Antioxidant Activity, and Phenolic Compounds of Hawthorn (Crataegus spp.) Fruits Species for Potential Use in Food Applications'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us