CHEBI:66102 - jacarelhyperol B

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ChEBI Name jacarelhyperol B
ChEBI ID CHEBI:66102
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB5159244, eMolecules:474218
Download Molfile XML SDF
Formula C36H28O12
Net Charge 0
Average Mass 652.60030
Monoisotopic Mass 652.15808
InChI InChI=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
InChIKey PESVSEKBWYZQFT-KKLWWLSJSA-N
SMILES CC(C)(O)[C@@H]1Oc2cc(O)c3c(oc4c(O)cccc4c3=O)c2[C@H]1Oc1ccc2c(oc3c4C=CC(C)(C)Oc4cc(O)c3c2=O)c1O
Metabolite of Species Details
Hypericum japonicum (NCBI:txid282542) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-one ChEBI
Registry Number Type Source
9465637 Reaxys Registry Number Reaxys
Citation Type Source
11914965 PubMed citation Europe PMC
Last Modified
24 November 2014