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ScientificNameLabel
Morusin
PHCD compound ID : 2211
Chemical Names :
Morusin
Molecular Formula : C25H24O6
Molecular Weight : 420.157288
More Details :
Names & Synonyms: 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one , 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-4-pyrano[2,3-h][1]benzopyranone , 2-[2,4-bis(oxidanyl)phenyl]-8,8-dimethyl-3-(3-methylbut-2-enyl)-5-oxidanyl-pyrano[2,3-h]chromen-4-one
Smiles: CC(=CCc1c(oc2c(c1=O)c(O)cc1c2C=CC(O1)(C)C)c1ccc(cc1O)O)C
InChi : InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3
InChi Key : InChIKey=XFFOMNJIDRDDLQ-UHFFFAOYSA-N
PubChem ID : 5281671
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.746866
Hydrogen bond donor count : 3 Electric dipole moment : 4.815
XLogP : 3.845 VDW volume : 396.107013
Molecular weight : 420.157288 HOMO-LUMO gap : 7.999000
Herb list :
Refrences & Litretures:
  
259.      Journal:'Fitoterapia'      Year:'2010'      Volume:'81'      Page:'1224'      DOI:'10.1016/j. tote.2010.08.006'      Title:'Cytotoxic prenylated ?avonoids from Morus alba'
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