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ScientificNameLabel
Phaseollinisoflavan
PHCD compound ID : 3669
Chemical Names :
Phaseollinisoflavan
Molecular Formula : C20H20O4
Molecular Weight : 324.136159
More Details :
Names & Synonyms: 6-[(3R)-7-hydroxychroman-3-yl]-2,2-dimethyl-chromen-5-ol , 6-[(3R)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]-2,2-dimethyl-1-benzopyran-5-ol , 6-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol , 2,2-dimethyl-6-[(3R)-7-oxidanyl-3,4-dihydro-2H-chromen-3-yl]chromen-5-ol
Smiles: Oc1ccc2c(c1)OC[C@H](C2)c1ccc2c(c1O)C=CC(O2)(C)C
InChi : InChI=1S/C20H20O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
InChi Key : InChIKey=UUJBHSNXZMGYBT-ZDUSSCGKSA-N
PubChem ID : 162412
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.718486
Hydrogen bond donor count : 2 Electric dipole moment : 2.037
XLogP : 2.266 VDW volume : 299.956012
Molecular weight : 324.136159 HOMO-LUMO gap : 8.397000
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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