CHEBI:66454 - scutianthraquinone B

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ChEBI Name scutianthraquinone B
ChEBI ID CHEBI:66454
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 C38H30O13
Net Charge 0
Average Mass 694.63700
Monoisotopic Mass 694.16864
InChI InChI=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
InChIKey OWDCXJMCKGCGEQ-UHFFFAOYSA-N
SMILES COC(=O)c1c(O)cc2C(=O)c3ccc(c(O)c3C(=O)c2c1C)C1(OC(=O)C(C)C)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): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Numbers Types Sources
1160579-08-7 CAS Registry Number ChemIDplus
19363281 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
19282186 PubMed citation Europe PMC
Last Modified
14 June 2016