CHEBI:66453 - scutianthraquinone A

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ChEBI Name scutianthraquinone A
ChEBI ID CHEBI:66453
Definition A member of the class of hydroxyanthraquinones isolated from the bark of Scutia myrtina. It has been shown to exhibit antiproliferative and antimalarial activities.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H32O13
Net Charge 0
Average Mass 708.66360
Monoisotopic Mass 708.18429
InChI InChI=1S/C39H32O13/c1-7-15(2)36(47)52-39(20-9-8-10-23(40)31(20)35(46)27-17(4)29(38(49)51-6)25(42)14-22(27)39)21-12-11-18-30(33(21)44)34(45)26-16(3)28(37(48)50-5)24(41)13-19(26)32(18)43/h8-15,40-42,44H,7H2,1-6H3
InChIKey LUBCWELSQUOSLN-UHFFFAOYSA-N
SMILES CCC(C)C(=O)OC1(c2ccc3C(=O)c4cc(O)c(C(=O)OC)c(C)c4C(=O)c3c2O)c2cccc(O)c2C(=O)c2c(C)c(C(=O)OC)c(O)cc12
Metabolite of Species Details
Scutia myrtina (IPNI:718873-1) Found in bark (BTO:0001301). See: PubMed
Roles Classification
Biological Role(s): 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.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing scutianthraquinone A (CHEBI:66453) has role antimalarial (CHEBI:38068)
scutianthraquinone A (CHEBI:66453) has role antineoplastic agent (CHEBI:35610)
scutianthraquinone A (CHEBI:66453) has role metabolite (CHEBI:25212)
scutianthraquinone A (CHEBI:66453) is a dihydroxyanthraquinone (CHEBI:37484)
scutianthraquinone A (CHEBI:66453) is a methyl ester (CHEBI:25248)
scutianthraquinone A (CHEBI:66453) is a ring assembly (CHEBI:36820)
IUPAC Name
dimethyl 1,2',5',6-tetrahydroxy-4',8-dimethyl-9'-[(2-methylbutanoyl)oxy]-9,10,10'-trioxo-9,9',10,10'-tetrahydro-2,9'-bianthracene-3',7-dicarboxylate
Registry Numbers Types Sources
1160579-07-6 CAS Registry Number ChemIDplus
19363282 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
19282186 PubMed citation Europe PMC
Last Modified
14 June 2016