CHEBI:66101 - jacarelhyperol A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name jacarelhyperol A
ChEBI ID CHEBI:66101
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
Download Molfile XML SDF
Formula C36H28O13
Net Charge 0
Average Mass 668.59970
Monoisotopic Mass 668.15299
InChI InChI=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
InChIKey TVTKQGIMDPXDNX-KKLWWLSJSA-N
SMILES CC(C)(O)[C@@H]1Oc2cc(O)c3c(oc4c(O)c(O)ccc4c3=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
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-one ChEBI
Registry Number Type Source
9464768 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11914965 PubMed citation Europe PMC
25241619 PubMed citation Europe PMC
Last Modified
24 November 2014