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ScientificNameLabel
Cannabifuran
PHCD compound ID : 3525
Chemical Names :
Cannabifuran
Molecular Formula : C21H26O2
Molecular Weight : 310.19328
More Details :
Names & Synonyms: 9-isopropyl-6-methyl-3-pentyl-dibenzofuran-1-ol , 6-methyl-3-pentyl-9-propan-2-yl-1-dibenzofuranol , 6-methyl-3-pentyl-9-propan-2-yldibenzofuran-1-ol , 6-methyl-3-pentyl-9-propan-2-yl-dibenzofuran-1-ol , 3-amyl-9-isopropyl-6-methyl-dibenzofuran-1-ol
Smiles: CCCCCc1cc(O)c2c(c1)oc1c2c(ccc1C)C(C)C
InChi : InChI=1S/C21H26O2/c1-5-6-7-8-15-11-17(22)20-18(12-15)23-21-14(4)9-10-16(13(2)3)19(20)21/h9-13,22H,5-8H2,1-4H3
InChi Key : InChIKey=VNGQMWZHHNCMLQ-UHFFFAOYSA-N
PubChem ID : 9966466
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 8.571246
Hydrogen bond donor count : 1 Electric dipole moment : 1.971
XLogP : 5.729 VDW volume : 303.764461
Molecular weight : 310.19328 HOMO-LUMO gap : 8.268000
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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