Skip Navigation Links
ScientificNameLabel
Cannabinol methyl ether
PHCD compound ID : 3517
Chemical Names :
Cannabinol methyl ether
Molecular Formula : C22H28O2
Molecular Weight : 324.20893
More Details :
Names & Synonyms: 1-methoxy-6,6,9-trimethyl-3-pentyl-benzo[c]chromene , 1-methoxy-6,6,9-trimethyl-3-pentylbenzo[c][1]benzopyran , 1-methoxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene , 3-amyl-1-methoxy-6,6,9-trimethyl-benzo[c]chromene
Smiles: CCCCCc1cc(OC)c2c(c1)OC(c1c2cc(C)cc1)(C)C
InChi : InChI=1S/C22H28O2/c1-6-7-8-9-16-13-19(23-5)21-17-12-15(2)10-11-18(17)22(3,4)24-20(21)14-16/h10-14H,6-9H2,1-5H3
InChi Key : InChIKey=YEDIZIGYIMTZKP-UHFFFAOYSA-N
PubChem ID : 628150
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 8.465099
Hydrogen bond donor count : 0 Electric dipole moment : 2.325
XLogP : 5.733 VDW volume : 331.960446
Molecular weight : 324.20893 HOMO-LUMO gap : 8.188000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us