CHEBI:133055 - 4''-hydroxycannabidiol

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ChEBI Name 4''-hydroxycannabidiol ChEBI ID CHEBI:133055 Definition A hydroxy-cannabidiol that is cannabidiol in which one of the hydrogens at position 4 of the pentyl chain has been replaced by a hydroxy group. It is one of the main metabolites of cannabidiol by human liver microsomes, produced particularly by CYP3A. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information 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/c1-13(2)17-9-8-14(3)10-18(17)21-19(23)11-16(12-20(21)24)7-5-6-15(4)22/h10-12,15,17-18,22-24H,1,5-9H2,2-4H3/t15?,17-,18+/m0/s1 InChIKey UZIVICVRBBCBHK-XSRYCBBQSA-N SMILES C=1(C(=CC(=CC1O)CCCC(C)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 4''-hydroxycannabidiol (CHEBI:133055) has role human xenobiotic metabolite (CHEBI:76967) 4''-hydroxycannabidiol (CHEBI:133055) is a hydroxy-cannabidiol (CHEBI:133048) 4''-hydroxycannabidiol (CHEBI:133055) is a olefinic compound (CHEBI:78840) 4''-hydroxycannabidiol (CHEBI:133055) is a resorcinols (CHEBI:33572) 4''-hydroxycannabidiol (CHEBI:133055) is a secondary alcohol (CHEBI:35681) IUPAC Name (1'R,2'R)-4-(4-hydroxypentyl)-5'-methyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol Synonyms Sources 4''-HO-cannabidiol ChEBI 4''-HO-CBD ChEBI 4''-hydroxy-cannabidiol ChEBI 4''-hydroxy-CBD ChEBI 4''-OH-cannabidiol ChEBI 4''-OH-CBD ChEBI Registry Number Type Source 22690713 Reaxys Registry Number Reaxys Citation Type Source 21704641 PubMed citation Europe PMC Last Modified 17 August 2016