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CHEBI:66102 - jacarelhyperol B

ChEBI IDCHEBI:66102
ChEBI Namejacarelhyperol B
Stars
DefinitionA member of the class of pyranoxanthones isolated from Hypericum japonicum. It has been found to exhibit inhibitory activity against platelet-activating factor (PAF)-induced hypertension.
Last Modified24 November 2014
DownloadsMolfile
FormulaC36H28O12
Net Charge0
Average Mass652.608
Monoisotopic Mass652.15808
SMILESCC1(C)C=Cc2c(cc(O)c3c(=O)c4ccc(O[C@@H]5c6c(cc(O)c7c(=O)c8cccc(O)c8oc67)O[C@H]5C(C)(C)O)c(O)c4oc23)O1
InChIInChI=1S/C36H28O12/c1-35(2)11-10-14-21(48-35)12-18(38)23-27(41)16-8-9-20(28(42)31(16)47-30(14)23)44-33-25-22(45-34(33)36(3,4)43)13-19(39)24-26(40)15-6-5-7-17(37)29(15)46-32(24)25/h5-13,33-34,37-39,42-43H,1-4H3/t33-,34-/m1/s1
InChIKeyPESVSEKBWYZQFT-KKLWWLSJSA-N
Species of MetaboliteComponentSourceComments
Hypericum japonicum (ncbitaxon:282542) - PubMed (11914965)
Roles Classification
Biological Role:
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)
jacarelhyperol B (CHEBI:66102) has role plant metabolite (CHEBI:76924)
jacarelhyperol B (CHEBI:66102) is a polyphenol (CHEBI:26195)
jacarelhyperol B (CHEBI:66102) is a pyranoxanthones (CHEBI:71238)
IUPAC Name 
rel-10-{[(1R,2R)-5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1,2-dihydro-6H-furo[2,3-c]xanthen-1-yl]oxy}-6,11-dihydroxy-3,3-dimethyl-3H,7H-pyrano[2,3-c]xanthen-7-one
Synonym  Source
rel-10-{[(1S,2S)-1,2-dihydro-5,10-dihydroxy-2-(1-hydroxy-1-methylethyl)-6-oxo-6H-furo[2,3-c]xanthene-1-yl]oxy}-6,11-dihydroxy-3,3-dimethyl-3H,7H-pyrano[2,3-c]xanthen-7-oneChEBI
Registry NumbersSources
Reaxys:9465637Reaxys
Citations