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ScientificNameLabel
Cannabidiol
PHCD compound ID : 3532
Chemical Names :
Cannabidiol
Molecular Formula : C21H30O2
Molecular Weight : 314.22458
More Details :
Names & Synonyms: 2-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-5-pentyl-benzene-1,3-diol , 2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]-5-pentylbenzene-1,3-diol , 2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol , 2-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-yl]-5-pentyl-benzene-1,3-diol , 5-amyl-2-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]resorcinol
Smiles: CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C
InChi : InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
InChi Key : InChIKey=QHMBSVQNZZTUGM-ZWKOTPCHSA-N
PubChem ID : 644019
Rotatable bond count : 6 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 8.815802
Hydrogen bond donor count : 2 Electric dipole moment : 2.660
XLogP : 6.158 VDW volume : 340.557378
Molecular weight : 314.22458 HOMO-LUMO gap : 9.107000
Herb list :
Refrences & Litretures:
  
490.      Journal:'Iran J Psychiatry'      Year:'2012'      Volume:'7'      Page:'149'      DOI:''      Title:'Chemistry, Metabolism, and Toxicology of Cannabis: Clinical Implications'
912.      Journal:'Food Quality and Safety, 2019, 3, 243'      Year:'2019'      Volume:'3'      Page:'243'      DOI:'10.1093/fqsafe/fyz022'      Title:'The antioxidant and physicochemical properties of microencapsulated bioactive compounds in Securigera securidaca (L.) seed extract by co-crystallization'
957.      Journal:'Food Quality and Safety'      Year:'2019'      Volume:'3'      Page:'243'      DOI:'10.1093/fqsafe/fyz022'      Title:'The antioxidant and physicochemical properties of microencapsulated bioactive compounds in Securigera securidaca (L.) seed extract by co-crystallization'
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