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ScientificNameLabel
Cannabidiolic acid
PHCD compound ID : 3482
Chemical Names :
Cannabidiolic acid
Molecular Formula : C22H30O4
Molecular Weight : 358.214409
More Details :
Names & Synonyms: 2,4-dihydroxy-3-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-6-pentyl-benzoic acid , 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]-6-pentylbenzoic acid , 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid , 3-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-yl]-2,4-bis(oxidanyl)-6-pentyl-benzoic acid , 6-amyl-2,4-dihydroxy-3-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]benzoic acid
Smiles: CCCCCc1cc(O)c(c(c1C(=O)O)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C
InChi : InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1
InChi Key : InChIKey=WVOLTBSCXRRQFR-DLBZAZTESA-N
PubChem ID : 160570
Rotatable bond count : 7 Rule of five : 1
Hydrogen bond acceptor count : 4 Ionization potential : 9.254560
Hydrogen bond donor count : 3 Electric dipole moment : 5.118
XLogP : 6.12 VDW volume : 372.797358
Molecular weight : 358.214409 HOMO-LUMO gap : 9.122000
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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