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ScientificNameLabel
Taxifolin
PHCD compound ID : 2539
Chemical Names :
Taxifolin
Molecular Formula : C15H12O7
Molecular Weight : 304.058303
More Details :
Names & Synonyms: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-one , (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one , (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one , (2R,3R)-2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-2,3-dihydrochromen-4-one
Smiles: Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](C(=O)c2c(c1)O)O
InChi : InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1
InChi Key : InChIKey=CXQWRCVTCMQVQX-LSDHHAIUSA-N
PubChem ID : 439533
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 9.048501
Hydrogen bond donor count : 5 Electric dipole moment : 3.619
XLogP : 0.803 VDW volume : 252.203228
Molecular weight : 304.058303 HOMO-LUMO gap : 8.153000
Herb list :
Refrences & Litretures:
  
292.      Journal:'Cancer Res'      Year:'2005'      Volume:'65'      Page:'4448'      DOI:''      Title:'Milk Thistle and Prostate Cancer: Differential Effects of Pure Flavonolignans from Silybum marianum on Antiproliferative End Points in Human Prostate Carcinoma Cells'
970.      Journal:'Biocatalysis and Agricultural Biotechnology'      Year:'2019'      Volume:'19'      Page:'101163'      DOI:'10.1016/j.bcab.2019.101163'      Title:'Datura innoxia and Dipsacus laciniatus: Biological activity and phenolic composition'
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