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CHEBI:65802 - diuvaretin

Default Structure
ChEBI IDCHEBI:65802
ChEBI Namediuvaretin
Stars
DefinitionA member of the class of dihydrochalcones that is dihydrochalcone substituted by 2-hydroxybenzyl groups at positions 3 and 5, hydroxy groups at positions 2 and 4 and a methoxy group at position 6. Isolated from the roots of Uvaria acuminata and Uvaria chamae, it exhibits cytotoxicity towards human promyelocytic leukemia HL-60 cells.
Last Modified14 January 2013
DownloadsMolfile
FormulaC30H28O6
Net Charge0
Average Mass484.548
Monoisotopic Mass484.18859
SMILESCOc1c(Cc2ccccc2O)c(O)c(Cc2ccccc2O)c(O)c1C(=O)CCc1ccccc1
InChIInChI=1S/C30H28O6/c1-36-30-23(18-21-12-6-8-14-25(21)32)28(34)22(17-20-11-5-7-13-24(20)31)29(35)27(30)26(33)16-15-19-9-3-2-4-10-19/h2-14,31-32,34-35H,15-18H2,1H3
InChIKeyKDEMELRYKGOXDL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Uvaria acuminata (ncbitaxon:672960) root (BTO:0001188) PubMed (14709883)
Uvaria chamae (ncbitaxon:174970) root (BTO:0001188) PubMed (845713)
Uvaria leptocladon (ncbitaxon:673191) root (BTO:0001188) DOI (10.1016/S0031-9422(00)95109-4) Previous component: root bark;
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
ChEBI Ontology
Outgoing Relation(s)
diuvaretin (CHEBI:65802) has role antimalarial (CHEBI:38068)
diuvaretin (CHEBI:65802) has role antineoplastic agent (CHEBI:35610)
diuvaretin (CHEBI:65802) has role metabolite (CHEBI:25212)
diuvaretin (CHEBI:65802) is a dihydrochalcones (CHEBI:71230)
diuvaretin (CHEBI:65802) is a monomethoxybenzene (CHEBI:25235)
diuvaretin (CHEBI:65802) is a resorcinols (CHEBI:33572)
IUPAC Name 
1-[2,4-dihydroxy-3,5-bis(2-hydroxybenzyl)-6-methoxyphenyl]-3-phenylpropan-1-one
Manual XrefsDatabases
LMPK12120472LIPID MAPS
Registry NumbersSources
Reaxys:2029684Reaxys
Citations