CHEBI:134302 - desmethylxanthohumol(1−)

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ChEBI Name desmethylxanthohumol(1−) ChEBI ID CHEBI:134302 ChEBI ASCII Name desmethylxanthohumol(1-) Definition A phenolate anion that is the conjugate base of xanthohumol, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen 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 C20H19O5 Net Charge -1 Average Mass 339.363 Monoisotopic Mass 339.12380 InChI InChI=1S/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/p-1/b10-6+ InChIKey FUSADYLVRMROPL-UXBLZVDNSA-M SMILES C1(=C(CC=C(C)C)C(=C(C(=O)/C=C/C2=CC=C(C=C2)O)C(=C1)O)[O-])O ChEBI Ontology Outgoing desmethylxanthohumol(1−) (CHEBI:134302) is a phenolate anion (CHEBI:50525) desmethylxanthohumol(1−) (CHEBI:134302) is conjugate base of desmethylxanthohumol (CHEBI:80489) Incoming desmethylxanthohumol (CHEBI:80489) is conjugate acid of desmethylxanthohumol(1−) (CHEBI:134302) IUPAC Name 3,5-dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-(3-methylbut-2-en-1-yl)phenolate Citation Type Source 18223037 PubMed citation SUBMITTER Last Modified 22 May 2024