CHEBI:133059 - 3''-hydroxycannabidiol

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ChEBI Name 3''-hydroxycannabidiol ChEBI ID CHEBI:133059 Definition A hydroxy-cannabidiol that is cannabidiol in which one of the two hydrogens at position 3 of the pentyl chain has been replaced by a hydroxy group. It is a metabolite of cannabidiol by human liver microsomes. 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/c1-5-16(22)8-7-15-11-19(23)21(20(24)12-15)18-10-14(4)6-9-17(18)13(2)3/h10-12,16-18,22-24H,2,5-9H2,1,3-4H3/t16?,17-,18+/m0/s1 InChIKey OEOXRPUFTSADIH-UQJFVLDMSA-N SMILES C=1(C(=CC(=CC1O)CCC(CC)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 3''-hydroxycannabidiol (CHEBI:133059) has role human xenobiotic metabolite (CHEBI:76967) 3''-hydroxycannabidiol (CHEBI:133059) is a hydroxy-cannabidiol (CHEBI:133048) 3''-hydroxycannabidiol (CHEBI:133059) is a olefinic compound (CHEBI:78840) 3''-hydroxycannabidiol (CHEBI:133059) is a resorcinols (CHEBI:33572) 3''-hydroxycannabidiol (CHEBI:133059) is a secondary alcohol (CHEBI:35681) IUPAC Name (1'R,2'R)-4-(3-hydroxypentyl)-5'-methyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol Synonyms Sources 3''-HO-cannabidiol ChEBI 3''-HO-CBD ChEBI 3''-hydroxy-cannabidiol ChEBI 3''-hydroxy-CBD ChEBI 3''-OH-cannabidiol ChEBI 3''-OH-CBD ChEBI Registry Numbers Types Sources 22690710 Reaxys Registry Number Reaxys 42965-06-0 CAS Registry Number ChemIDplus Citation Type Source 21704641 PubMed citation Europe PMC Last Modified 13 June 2022