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ScientificNameLabel
Cannabinolic acid A
PHCD compound ID : 3515
Chemical Names :
Cannabinolic acid A
Molecular Formula : C22H26O4
Molecular Weight : 354.183109
More Details :
Names & Synonyms: 1-hydroxy-6,6,9-trimethyl-3-pentyl-benzo[c]chromene-2-carboxylic acid , 1-hydroxy-6,6,9-trimethyl-3-pentyl-2-benzo[c][1]benzopyrancarboxylic acid , 1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylic acid , 6,6,9-trimethyl-1-oxidanyl-3-pentyl-benzo[c]chromene-2-carboxylic acid , 3-amyl-1-hydroxy-6,6,9-trimethyl-benzo[c]chromene-2-carboxylic acid
Smiles: CCCCCc1cc2OC(C)(C)c3c(c2c(c1C(=O)O)O)cc(cc3)C
InChi : InChI=1S/C22H26O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h9-12,23H,5-8H2,1-4H3,(H,24,25)
InChi Key : InChIKey=KXKOBIRSQLNUPS-UHFFFAOYSA-N
PubChem ID : 3081990
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 4 Ionization potential : 8.649545
Hydrogen bond donor count : 2 Electric dipole moment : 1.803
XLogP : 5.374 VDW volume : 346.90444
Molecular weight : 354.183109 HOMO-LUMO gap : 8.091000
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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