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ScientificNameLabel
Cannabigerovarinic acid
PHCD compound ID : 3492
Chemical Names :
Cannabigerovarinic acid
Molecular Formula : C20H28O4
Molecular Weight : 332.198759
More Details :
Names & Synonyms: 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-propyl-benzoic acid , 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-propylbenzoic acid , 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-bis(oxidanyl)-6-propyl-benzoic acid
Smiles: CCCc1cc(O)c(c(c1C(=O)O)O)C/C=C(/CCC=C(C)C)\C
InChi : InChI=1S/C20H28O4/c1-5-7-15-12-17(21)16(19(22)18(15)20(23)24)11-10-14(4)9-6-8-13(2)3/h8,10,12,21-22H,5-7,9,11H2,1-4H3,(H,23,24)/b14-10+
InChi Key : InChIKey=FAVCTJGKHFHFHJ-GXDHUFHOSA-N
PubChem ID : 59444383
Rotatable bond count : 8 Rule of five : 1
Hydrogen bond acceptor count : 4 Ionization potential : 8.872359
Hydrogen bond donor count : 3 Electric dipole moment : 1.428
XLogP : 5.486 VDW volume : 350.561847
Molecular weight : 332.198759 HOMO-LUMO gap : 8.382000
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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