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CHEBI:66092 - isochamuvaritin

ChEBI IDCHEBI:66092
ChEBI Nameisochamuvaritin
Stars
DefinitionA member of the class of a xanthenes that is 9H-xanthene substituted by hydroxy groups at positions 1 and 3, a 2-hydroxybenzyl group at position 2 and a 3-phenylpropanoyl group at position 4. Isolated from the roots of Uvaria acuminata, it exhibits potent cytotoxicity against human promyelocytic leukemia HL-60 cells.
Last Modified4 March 2013
DownloadsMolfile
FormulaC29H24O5
Net Charge0
Average Mass452.506
Monoisotopic Mass452.16237
SMILESO=C(CCc1ccccc1)c1c(O)c(Cc2ccccc2O)c(O)c2c1Oc1ccccc1C2
InChIInChI=1S/C29H24O5/c30-23-12-6-4-10-19(23)16-21-27(32)22-17-20-11-5-7-13-25(20)34-29(22)26(28(21)33)24(31)15-14-18-8-2-1-3-9-18/h1-13,30,32-33H,14-17H2
InChIKeyVBENIJLFKRPAAF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Uvaria acuminata (ncbitaxon:672960) root (BTO:0001188) PubMed (14709883)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
isochamuvaritin (CHEBI:66092) has role antineoplastic agent (CHEBI:35610)
isochamuvaritin (CHEBI:66092) has role metabolite (CHEBI:25212)
isochamuvaritin (CHEBI:66092) is a dihydrochalcones (CHEBI:71230)
isochamuvaritin (CHEBI:66092) is a polyphenol (CHEBI:26195)
isochamuvaritin (CHEBI:66092) is a xanthenes (CHEBI:38835)
IUPAC Name 
1-[1,3-dihydroxy-2-(2-hydroxybenzyl)-9H-xanthen-4-yl]-3-phenylpropan-1-one
Registry NumbersSources
Reaxys:9739285Reaxys
Citations