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ScientificNameLabel
Cannabinerolic acid A
PHCD compound ID : 3494
Chemical Names :
Cannabinerolic acid A
Molecular Formula : C22H32O4
Molecular Weight : 360.23006
More Details :
Names & Synonyms: 3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentyl-benzoic acid , 3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentylbenzoic acid , 3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-2,4-bis(oxidanyl)-6-pentyl-benzoic acid , 6-amyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-benzoic acid
Smiles: CCCCCc1cc(O)c(c(c1C(=O)O)O)C/C=C(\CCC=C(C)C)/C
InChi : InChI=1S/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)/b16-12-
InChi Key : InChIKey=SEEZIOZEUUMJME-VBKFSLOCSA-N
PubChem ID : 9998639
Rotatable bond count : 10 Rule of five : 1
Hydrogen bond acceptor count : 4 Ionization potential : 8.927964
Hydrogen bond donor count : 3 Electric dipole moment : 1.407
XLogP : 6.624 VDW volume : 385.153816
Molecular weight : 360.23006 HOMO-LUMO gap : 8.451000
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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