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ScientificNameLabel
Cannabicoumaronone-C5
PHCD compound ID : 3528
Chemical Names :
Cannabicoumaronone-C5
Molecular Formula : C21H28O3
Molecular Weight : 328.203845
More Details :
Names & Synonyms:
Smiles: CCCCCc1cc2OC(C)(C)[C@H](c3c2c(c1)oc3)CCC(=O)C
InChi : InChI=1S/C21H28O3/c1-5-6-7-8-15-11-18-20-16(13-23-18)17(10-9-14(2)22)21(3,4)24-19(20)12-15/h11-13,17H,5-10H2,1-4H3/t17-/m0/s1
InChi Key : InChIKey=CSSYBWPIBDITMG-KRWDZBQOSA-N
PubChem ID : 625303
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.582603
Hydrogen bond donor count : 0 Electric dipole moment : 2.233
XLogP : 4.616 VDW volume : 326.091146
Molecular weight : 328.203845 HOMO-LUMO gap : 8.500000
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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