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ScientificNameLabel
Licocoumarin
PHCD compound ID : 3692
Chemical Names :
Licocoumarin
Molecular Formula : C25H26O5
Molecular Weight : 406.178024
More Details :
Names & Synonyms: 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxy-8-(3-methylbut-2-enyl)chromen-2-one , 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxy-8-(3-methylbut-2-enyl)-1-benzopyran-2-one , 8-(3-methylbut-2-enyl)-3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-7-oxidanyl-chromen-2-one , 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxy-8-(3-methylbut-2-enyl)coumarin
Smiles: CC(=CCc1c(O)ccc(c1O)c1cc2ccc(c(c2oc1=O)CC=C(C)C)O)C
InChi : InChI=1S/C25H26O5/c1-14(2)5-8-18-21(26)12-10-17(23(18)28)20-13-16-7-11-22(27)19(9-6-15(3)4)24(16)30-25(20)29/h5-7,10-13,26-28H,8-9H2,1-4H3
InChi Key : InChIKey=UAGJZOLUSRCDEP-UHFFFAOYSA-N
PubChem ID : 5324358
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.811920
Hydrogen bond donor count : 3 Electric dipole moment : 4.438
XLogP : 4.384 VDW volume : 399.673245
Molecular weight : 406.178024 HOMO-LUMO gap : 7.669000
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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