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ScientificNameLabel
Cannabidiorcol
PHCD compound ID : 3488
Chemical Names :
Cannabidiorcol
Molecular Formula : C17H22O2
Molecular Weight : 258.16198
More Details :
Names & Synonyms: 2-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-5-methyl-benzene-1,3-diol , 5-methyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]benzene-1,3-diol , 5-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol , 5-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-yl]benzene-1,3-diol , 2-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-5-methyl-resorcinol
Smiles: CC1=C[C@H]([C@@H](CC1)C(=C)C)c1c(O)cc(cc1O)C
InChi : InChI=1S/C17H22O2/c1-10(2)13-6-5-11(3)7-14(13)17-15(18)8-12(4)9-16(17)19/h7-9,13-14,18-19H,1,5-6H2,2-4H3/t13-,14+/m0/s1
InChi Key : InChIKey=GKVOVXWEBSQJPA-UONOGXRCSA-N
PubChem ID : 16657068
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.759617
Hydrogen bond donor count : 2 Electric dipole moment : 2.926
XLogP : 3.987 VDW volume : 271.37344
Molecular weight : 258.16198 HOMO-LUMO gap : 9.075000
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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