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ScientificNameLabel
Cannabinodiol
PHCD compound ID : 3522
Chemical Names :
Cannabinodiol
Molecular Formula : C21H26O2
Molecular Weight : 310.19328
More Details :
Names & Synonyms: 2-(2-isopropenyl-5-methyl-phenyl)-5-pentyl-benzene-1,3-diol , 2-[5-methyl-2-(1-methylethenyl)phenyl]-5-pentylbenzene-1,3-diol , 2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-pentylbenzene-1,3-diol , 2-(5-methyl-2-prop-1-en-2-yl-phenyl)-5-pentyl-benzene-1,3-diol , 5-amyl-2-(2-isopropenyl-5-methyl-phenyl)resorcinol
Smiles: CCCCCc1cc(O)c(c(c1)O)c1cc(C)ccc1C(=C)C
InChi : InChI=1S/C21H26O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h9-13,22-23H,2,5-8H2,1,3-4H3
InChi Key : InChIKey=TWKHUZXSTKISQC-UHFFFAOYSA-N
PubChem ID : 11551346
Rotatable bond count : 6 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.010527
Hydrogen bond donor count : 2 Electric dipole moment : 2.246
XLogP : 6.481 VDW volume : 324.384461
Molecular weight : 310.19328 HOMO-LUMO gap : 9.042000
Herb list :
Refrences & Litretures:
  
489.      Journal:'Life Sciences'      Year:'2005'      Volume:'78'      Page:'539'      DOI:'10.1016/j.lfs.2005.09.011'      Title:'Chemical constituents of marijuana: The complex mixture of natural cannabinoids'
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