CHEBI:66656 - mallotophilippen B

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ChEBI Name mallotophilippen B
ChEBI ID CHEBI:66656
Definition A 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 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6. Isolated from Mallotus philippensis, it exhibits anti-inflammatory activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C26H30O8
Net Charge 0
Average Mass 470.51160
Monoisotopic Mass 470.19407
InChI InChI=1S/C26H30O8/c1-7-11(2)19(28)18-24(33)16(22(31)14-8-9-26(5,6)34-25(14)18)10-15-20(29)12(3)21(30)17(13(4)27)23(15)32/h8-9,11,29-33H,7,10H2,1-6H3
InChIKey QDQSOVCXTNDOAI-UHFFFAOYSA-N
SMILES CCC(C)C(=O)c1c(O)c(Cc2c(O)c(C)c(O)c(C(C)=O)c2O)c(O)c2C=CC(C)(C)Oc12
Metabolite of Species Details
Mallotus philippensis (NCBI:txid316645) Found in fruit (BTO:0000486). See: PubMed
Roles Classification
Biological Role(s): 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.
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).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing mallotophilippen B (CHEBI:66656) has functional parent phloroglucinol (CHEBI:16204)
mallotophilippen B (CHEBI:66656) has role anti-inflammatory agent (CHEBI:67079)
mallotophilippen B (CHEBI:66656) has role EC 1.14.13.39 (nitric oxide synthase) inhibitor (CHEBI:61908)
mallotophilippen B (CHEBI:66656) has role histamine antagonist (CHEBI:37956)
mallotophilippen B (CHEBI:66656) has role metabolite (CHEBI:25212)
mallotophilippen B (CHEBI:66656) is a aromatic ketone (CHEBI:76224)
mallotophilippen B (CHEBI:66656) is a chromenol (CHEBI:39436)
mallotophilippen B (CHEBI:66656) is a methyl ketone (CHEBI:51867)
mallotophilippen B (CHEBI:66656) is a polyphenol (CHEBI:26195)
IUPAC Name
1-[6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl]-2-methylbutan-1-one
Registry Number Type Source
9305827 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
12499591 PubMed citation Europe PMC
Last Modified
07 November 2013