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ScientificNameLabel
Xanthorrhizol
PHCD compound ID : 4201
Chemical Names :
Xanthorrhizol
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: 5-[(1R)-1,5-dimethylhex-4-enyl]-2-methyl-phenol , 2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]phenol
Smiles: CC(=CCC[C@H](c1ccc(c(c1)O)C)C)C
InChi : InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3/t12-/m1/s1
InChi Key : InChIKey=FKWGCEDRLNNZOZ-GFCCVEGCSA-N
PubChem ID : 93135
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.844514
Hydrogen bond donor count : 1 Electric dipole moment : 0.966
XLogP : 4.414 VDW volume : 242.984161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.087000
Herb list :
Refrences & Litretures:
  
605.      Journal:'J Sci Food Agric'      Year:'2013'      Volume:'93'      Page:'2494'      DOI:'10.1002/jsfa.6065'      Title:'Chemical constituents and anti-ulcerogenic potential of the scales of Cynara scolymus (artichoke) heads'
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