MetaCyc Compound: cannabidiol

Synonyms: 2-(3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol, CBD

Superclasses: a secondary metabolite a terpenophenolic a cannabinoid

Chemical Formula: C21H30O2

Molecular Weight: 314.47 Daltons

Monoisotopic Molecular Weight: 314.2245802072 Daltons

cannabidiol compound structure


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


Unification Links: ChemSpider:24547 , KEGG:C07578 , PubChem:26346

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 308.8136 Inferred by computational analysis [Latendresse13]

Reactions known to produce the compound:

cannabinoid biosynthesis :
cannabidiolate + H+cannabidiol + CO2


Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

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Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 19.0 on Wed Oct 7, 2015, biocyc14.