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CHEBI:66725 - Panduratin A

ChEBI IDCHEBI:66725
ChEBI NamePanduratin A
Stars
DefinitionA natural product found in Kaempferia pandurata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC26H30O4
Net Charge0
Average Mass406.522
Monoisotopic Mass406.21441
SMILESCOc1cc(O)c(C(=O)[C@@H]2[C@H](CC=C(C)C)C(C)=CC[C@H]2c2ccccc2)c(O)c1
InChIInChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1
InChIKeyLYDZCXVWCFJAKQ-ZFGGDYGUSA-N
Species of MetaboliteComponentSourceComments
Kaempferia pandurata (IPNI:797186-1) rhizome (BTO:0001181) PubMed (15930750)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Panduratin A (CHEBI:66725) has role metabolite (CHEBI:25212)
Panduratin A (CHEBI:66725) is a diarylheptanoid (CHEBI:78802)
Synonym  Source
(2,6-dihydroxy-4-methoxyphenyl)[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-en-1-yl)-6-phenylcyclohex-3-en-1-yl]methanoneChEBI
Citations