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CHEBI:66101 - jacarelhyperol A

ChEBI IDCHEBI:66101
ChEBI Namejacarelhyperol A
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
FormulaC36H28O13
Net Charge0
Average Mass668.607
Monoisotopic Mass668.15299
SMILESCC1(C)C=Cc2c(cc(O)c3c(=O)c4ccc(O[C@@H]5c6c(cc(O)c7c(=O)c8ccc(O)c(O)c8oc67)O[C@H]5C(C)(C)O)c(O)c4oc23)O1
InChIInChI=1S/C36H28O13/c1-35(2)10-9-13-20(49-35)11-17(38)22-25(40)15-6-8-19(28(43)31(15)47-29(13)22)45-33-24-21(46-34(33)36(3,4)44)12-18(39)23-26(41)14-5-7-16(37)27(42)30(14)48-32(23)24/h5-12,33-34,37-39,42-44H,1-4H3/t33-,34-/m1/s1
InChIKeyTVTKQGIMDPXDNX-KKLWWLSJSA-N
Species of MetaboliteComponentSourceComments
Hypericum japonicum (ncbitaxon:282542) - PubMed (11914965)
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
jacarelhyperol A (CHEBI:66101) has role antineoplastic agent (CHEBI:35610)
jacarelhyperol A (CHEBI:66101) is a polyphenol (CHEBI:26195)
jacarelhyperol A (CHEBI:66101) is a pyranoxanthones (CHEBI:71238)
IUPAC Name 
rel-6,11-dihydroxy-3,3-dimethyl-10-{[(1R,2R)-5,9,10-trihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1,2-dihydro-6H-furo[2,3-c]xanthen-1-yl]oxy}-3H,7H-pyrano[2,3-c]xanthen-7-one
Synonym  Source
rel-10-{[(1S,2S)-1,2-dihydro-5,9,10-trihydroxy-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:9464768Reaxys
Citations