CHEBI:139273 - 4-O-methylxanthohumol(1−)

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ChEBI Name 4-O-methylxanthohumol(1−) ChEBI ID CHEBI:139273 ChEBI ASCII Name 4-O-methylxanthohumol(1-) Definition A phenolate anion that is the conjugate base of 4-O-methylxanthohumol, 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 C22H23O5 Net Charge -1 Average Mass 367.416 Monoisotopic Mass 367.15510 InChI InChI=1S/C22H24O5/c1-14(2)5-11-17-19(24)13-20(27-4)21(22(17)25)18(23)12-8-15-6-9-16(26-3)10-7-15/h5-10,12-13,24-25H,11H2,1-4H3/p-1/b12-8+ InChIKey HOOCUUOYPZNVKX-XYOKQWHBSA-M SMILES C1(=C(CC=C(C)C)C(=C(C(=O)/C=C/C2=CC=C(C=C2)OC)C(=C1)OC)[O-])O ChEBI Ontology Outgoing 4-O-methylxanthohumol(1−) (CHEBI:139273) is a phenolate anion (CHEBI:50525) 4-O-methylxanthohumol(1−) (CHEBI:139273) is conjugate base of 4-O-methylxanthohumol (CHEBI:139593) Incoming 4-O-methylxanthohumol (CHEBI:139593) is conjugate acid of 4-O-methylxanthohumol(1−) (CHEBI:139273) IUPAC Name 3-hydroxy-5-methoxy-6-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-2-(3-methylbut-2-en-1-yl)phenolate Citation Type Source 18223037 PubMed citation SUBMITTER Last Modified 16 May 2024