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CHEBI:66454 - scutianthraquinone B

ChEBI IDCHEBI:66454
ChEBI Namescutianthraquinone B
Stars
DefinitionA member of the class of hydroxyanthraquinones isolated from the bark of Scutia myrtina. It has been shown to exhibit antiproliferative and antimalarial activities.
Last Modified14 June 2016
DownloadsMolfile
FormulaC38H30O13
Net Charge0
Average Mass694.645
Monoisotopic Mass694.16864
SMILESCOC(=O)c1c(O)cc2c(c1C)C(=O)c1c(ccc(C3(OC(=O)C(C)C)c4cccc(O)c4C(=O)c4c3cc(O)c(C(=O)OC)c4C)c1O)C2=O
InChIInChI=1S/C38H30O13/c1-14(2)35(46)51-38(19-8-7-9-22(39)30(19)34(45)26-16(4)28(37(48)50-6)24(41)13-21(26)38)20-11-10-17-29(32(20)43)33(44)25-15(3)27(36(47)49-5)23(40)12-18(25)31(17)42/h7-14,39-41,43H,1-6H3
InChIKeyOWDCXJMCKGCGEQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Scutia myrtina (IPNI:718873-1) bark (BTO:0001301) PubMed (19282186)
Roles Classification
Biological Roles:
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
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.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
scutianthraquinone B (CHEBI:66454) has role antimalarial (CHEBI:38068)
scutianthraquinone B (CHEBI:66454) has role antineoplastic agent (CHEBI:35610)
scutianthraquinone B (CHEBI:66454) has role metabolite (CHEBI:25212)
scutianthraquinone B (CHEBI:66454) is a dihydroxyanthraquinone (CHEBI:37484)
scutianthraquinone B (CHEBI:66454) is a methyl ester (CHEBI:25248)
scutianthraquinone B (CHEBI:66454) is a ring assembly (CHEBI:36820)
IUPAC Name 
dimethyl 1,2',5',6-tetrahydroxy-4',8-dimethyl-9'-[(2-methylpropanoyl)oxy]-9,10,10'-trioxo-9,9',10,10'-tetrahydro-2,9'-bianthracene-3',7-dicarboxylate
Registry NumbersSources
Reaxys:19363281Reaxys
CAS:1160579-08-7ChemIDplus
Citations