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ScientificNameLabel
cudraflavone B
PHCD compound ID : 3459
Chemical Names :
cudraflavone B
Molecular Formula : C25H24O6
Molecular Weight : 420.157288
More Details :
Names & Synonyms: 8-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one , 8-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-pyrano[3,2-g][1]benzopyranone , 8-[2,4-bis(oxidanyl)phenyl]-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-pyrano[3,2-g]chromen-6-one
Smiles: CC(=CCc1c(oc2c(c1=O)c(O)c1c(c2)OC(C=C1)(C)C)c1ccc(cc1O)O)C
InChi : InChI=1S/C25H24O6/c1-13(2)5-7-17-23(29)21-20(30-24(17)15-8-6-14(26)11-18(15)27)12-19-16(22(21)28)9-10-25(3,4)31-19/h5-6,8-12,26-28H,7H2,1-4H3
InChi Key : InChIKey=XIWCDUHPYMOFIL-UHFFFAOYSA-N
PubChem ID : 5319925
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.899706
Hydrogen bond donor count : 3 Electric dipole moment : 2.894
XLogP : 3.845 VDW volume : 396.107013
Molecular weight : 420.157288 HOMO-LUMO gap : 8.386000
Herb list :
Refrences & Litretures:
  
482.      Journal:'J. Agric. Food Chem'      Year:'2010'      Volume:'58'      Page:'5368'      DOI:'10.1021/jf1003607'      Title:'Tyrosinase Inhibitory Constituents from the Roots of Morus nigra: A Structure-Activity Relationship Study'
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