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ScientificNameLabel
5'-methoxybilobetin
PHCD compound ID : 2456
Chemical Names :
5'-methoxybilobetin
Molecular Formula : C32H22O11
Molecular Weight : 582.116212
More Details :
Names & Synonyms: 8-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2,3-dimethoxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one , 8-[5-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2,3-dimethoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one , 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2,3-dimethoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one , 8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2,3-dimethoxy-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one , 8-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2,3-dimethoxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone
Smiles: COc1cc(cc(c1OC)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O)c1cc(=O)c2c(o1)cc(cc2O)O
InChi : InChI=1S/C32H22O11/c1-40-27-8-15(25-12-22(38)29-19(35)9-17(34)10-26(29)42-25)7-18(31(27)41-2)28-20(36)11-21(37)30-23(39)13-24(43-32(28)30)14-3-5-16(33)6-4-14/h3-13,33-37H,1-2H3
InChi Key : InChIKey=RQNXAFVREOYDNA-UHFFFAOYSA-N
PubChem ID : 5319411
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 11 Ionization potential : 8.852123
Hydrogen bond donor count : 5 Electric dipole moment : 7.166
XLogP : 2.591 VDW volume : 498.798369
Molecular weight : 582.116212 HOMO-LUMO gap : 7.794000
Herb list :
Refrences & Litretures:
  
280.      Journal:'Appl Microbiol Biotechnol'      Year:'2004'      Volume:'64'      Page:'465'      DOI:'10.1007/s00253-003-1527-9'      Title:'Studies on molecular mechanisms of Ginkgo biloba extract'
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