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ScientificNameLabel
Cannabichromanone
PHCD compound ID : 3526
Chemical Names :
Cannabichromanone
Molecular Formula : C20H28O4
Molecular Weight : 332.198759
More Details :
Names & Synonyms: 5-hydroxy-2,2-dimethyl-3-(3-oxobutyl)-7-pentyl-chroman-4-one , 5-hydroxy-2,2-dimethyl-3-(3-oxobutyl)-7-pentyl-3,4-dihydro-2H-1-benzopyran-4-one , 5-hydroxy-2,2-dimethyl-3-(3-oxobutyl)-7-pentyl-3H-chromen-4-one , 2,2-dimethyl-5-oxidanyl-3-(3-oxidanylidenebutyl)-7-pentyl-3H-chromen-4-one , 7-amyl-5-hydroxy-3-(3-ketobutyl)-2,2-dimethyl-chroman-4-one
Smiles: CCCCCc1cc(O)c2c(c1)OC([C@H](C2=O)CCC(=O)C)(C)C
InChi : InChI=1S/C20H28O4/c1-5-6-7-8-14-11-16(22)18-17(12-14)24-20(3,4)15(19(18)23)10-9-13(2)21/h11-12,15,22H,5-10H2,1-4H3/t15-/m0/s1
InChi Key : InChIKey=NHZMSIOYBVIOAF-HNNXBMFYSA-N
PubChem ID : 186690
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.143068
Hydrogen bond donor count : 1 Electric dipole moment : 2.888
XLogP : 3.863 VDW volume : 340.841847
Molecular weight : 332.198759 HOMO-LUMO gap : 8.802000
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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