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CHEBI:66655 - mallotophilippen A

ChEBI IDCHEBI:66655
ChEBI Namemallotophilippen A
Stars
DefinitionA chromenol that is 2H-chromene-5,7-diol substituted by geminal methyl groups at position 2, a 2-methylbutanoyl group at position 8 and a 2,4,6-trihydroxy-3-methyl-5-(2-methylpropanoyl)benzyl group at position 6. Isolated from Mallotus philippensis, it exhibits anti-inflammatory activity.
Last Modified7 November 2013
DownloadsMolfile
FormulaC28H34O8
Net Charge0
Average Mass498.572
Monoisotopic Mass498.22537
SMILESCCC(C)C(=O)c1c(O)c(Cc2c(O)c(C)c(O)c(C(=O)C(C)C)c2O)c(O)c2c1OC(C)(C)C=C2
InChIInChI=1S/C28H34O8/c1-8-13(4)21(30)19-26(35)17(24(33)15-9-10-28(6,7)36-27(15)19)11-16-22(31)14(5)23(32)18(25(16)34)20(29)12(2)3/h9-10,12-13,31-35H,8,11H2,1-7H3
InChIKeyCKDCFMPRWZIMFC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mallotus philippensis (ncbitaxon:316645) fruit (BTO:0000486) PubMed (12499591)
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.
EC 1.14.13.39 (nitric oxide synthase) inhibitor  An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of nitric oxide synthase (EC 1.14.13.39).
histamine antagonist  Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists.
Applications:
histamine antagonist  Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
mallotophilippen A (CHEBI:66655) has functional parent phloroglucinol (CHEBI:16204)
mallotophilippen A (CHEBI:66655) has role anti-inflammatory agent (CHEBI:67079)
mallotophilippen A (CHEBI:66655) has role EC 1.14.13.39 (nitric oxide synthase) inhibitor (CHEBI:61908)
mallotophilippen A (CHEBI:66655) has role histamine antagonist (CHEBI:37956)
mallotophilippen A (CHEBI:66655) has role metabolite (CHEBI:25212)
mallotophilippen A (CHEBI:66655) is a aromatic ketone (CHEBI:76224)
mallotophilippen A (CHEBI:66655) is a chromenol (CHEBI:39436)
mallotophilippen A (CHEBI:66655) is a polyphenol (CHEBI:26195)
IUPAC Name 
1-{5,7-dihydroxy-2,2-dimethyl-6-[2,4,6-trihydroxy-3-methyl-5-(2-methylpropanoyl)benzyl]-2H-chromen-8-yl}-2-methylbutan-1-one
Registry NumbersSources
Reaxys:9306447Reaxys
Citations