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ScientificNameLabel
Glabrol
PHCD compound ID : 3683
Chemical Names :
Glabrol
Molecular Formula : C25H28O4
Molecular Weight : 392.198759
More Details :
Names & Synonyms: 7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)chroman-4-one , 7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-4-one , 7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one , 8-(3-methylbut-2-enyl)-2-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-7-oxidanyl-2,3-dihydrochromen-4-one
Smiles: CC(=CCc1cc(ccc1O)[C@@H]1CC(=O)c2c(O1)c(CC=C(C)C)c(cc2)O)C
InChi : InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3/t24-/m0/s1
InChi Key : InChIKey=CUFAXDWQDQQKFF-DEOSSOPVSA-N
PubChem ID : 480768
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.986725
Hydrogen bond donor count : 2 Electric dipole moment : 4.230
XLogP : 4.117 VDW volume : 393.519477
Molecular weight : 392.198759 HOMO-LUMO gap : 8.636000
Herb list :
Refrences & Litretures:
  
512.      Journal:'Food Chemistry'      Year:'1990'      Volume:'38'      Page:'119'      DOI:''      Title:'Liquorice, Glycyrrhiza glabra L. - Composition, Uses and Analysis'
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