CHEBI:133058 - 2''-hydroxycannabidiol

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ChEBI Name 2''-hydroxycannabidiol ChEBI ID CHEBI:133058 Definition A hydroxy-cannabidiol that is cannabidiol in which one of the two hydrogens at position 2 of the pentyl chain has been replaced by a hydroxy group. It is a metabolite of cannabidiol by human liver microsomes, produced by CYP3A. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB3395075 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H30O3 Net Charge 0 Average Mass 330.462 Monoisotopic Mass 330.21949 InChI InChI=1S/C21H30O3/c1-5-6-16(22)10-15-11-19(23)21(20(24)12-15)18-9-14(4)7-8-17(18)13(2)3/h9,11-12,16-18,22-24H,2,5-8,10H2,1,3-4H3/t16?,17-,18+/m0/s1 InChIKey PVRJAZVKVQMBIZ-UQJFVLDMSA-N SMILES C=1(C(=CC(=CC1O)CC(CCC)O)O)[C@H]2[C@](CCC(=C2)C)([H])C(C)=C Roles Classification Biological Role(s): human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. View more via ChEBI Ontology ChEBI Ontology Outgoing 2''-hydroxycannabidiol (CHEBI:133058) has role human xenobiotic metabolite (CHEBI:76967) 2''-hydroxycannabidiol (CHEBI:133058) is a hydroxy-cannabidiol (CHEBI:133048) 2''-hydroxycannabidiol (CHEBI:133058) is a olefinic compound (CHEBI:78840) 2''-hydroxycannabidiol (CHEBI:133058) is a resorcinols (CHEBI:33572) 2''-hydroxycannabidiol (CHEBI:133058) is a secondary alcohol (CHEBI:35681) IUPAC Name (1'R,2'R)-4-(2-hydroxypentyl)-5'-methyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol Synonyms Sources 2''-HO-cannabidiol ChEBI 2''-HO-CBD ChEBI 2''-hydroxy-cannabidiol ChEBI 2''-hydroxy-CBD ChEBI 2''-OH-cannabidiol ChEBI 2''-OH-CBD ChEBI Registry Number Type Source 22690712 Reaxys Registry Number Reaxys Citation Last Modified 17 August 2016