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ScientificNameLabel
Bilobetin
PHCD compound ID : 2452
Chemical Names :
Bilobetin
Molecular Formula : C31H20O10
Molecular Weight : 552.105647
More Details :
Names & Synonyms: 8-[5-(5,7-dihydroxy-4-oxo-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one , 8-[5-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one , 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one , 8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-methoxy-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one , 8-[5-(5,7-dihydroxy-4-keto-chromen-2-yl)-2-methoxy-phenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone
Smiles: COc1ccc(cc1c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O)c1cc(=O)c2c(o1)cc(cc2O)O
InChi : InChI=1S/C31H20O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-36H,1H3
InChi Key : InChIKey=IWEIJEPIYMAGTH-UHFFFAOYSA-N
PubChem ID : 5315459
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 10 Ionization potential : 8.945916
Hydrogen bond donor count : 5 Electric dipole moment : 2.303
XLogP : 2.351 VDW volume : 472.712158
Molecular weight : 552.105647 HOMO-LUMO gap : 7.950000
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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