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CHEBI:134308 - xanthogalenol(1−)

ChEBI IDCHEBI:134308
ChEBI Namexanthogalenol(1−)
Stars
ASCII Namexanthogalenol(1-)
DefinitionA phenolate anion that is the conjugate base of xanthogalenol, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified12 April 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H21O5
Net Charge-1
Average Mass353.394
Monoisotopic Mass353.13945
SMILESCOc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c([O-])c1CC=C(C)C
InChIInChI=1S/C21H22O5/c1-13(2)4-10-16-19(26-3)12-18(24)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/p-1/b11-7+
InChIKeyALGFNVZQNNGHPA-YRNVUSSQSA-M
ChEBI Ontology
Outgoing Relation(s)
xanthogalenol(1−) (CHEBI:134308) is a phenolate anion (CHEBI:50525)
xanthogalenol(1−) (CHEBI:134308) is conjugate base of xanthogalenol (CHEBI:136826)
Incoming Relation(s)
xanthogalenol (CHEBI:136826) is conjugate acid of xanthogalenol(1−) (CHEBI:134308)
IUPAC Name 
3-hydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-methoxy-6-(3-methylbut-2-en-1-yl)phenolate
Synonym  Source
3' prenyl-4' O-methylchalconaringenin(1−)SUBMITTER
UniProt Name  Source
xanthogalenolUniProt
Citations