CHEBI:66658 - mallotophilippen D

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ChEBI Name mallotophilippen D
ChEBI ID CHEBI:66658
Definition A member of the class of chalcones that is chalcone substituted by hydroxy groups at positions 3, 4, 2' and 4', a geranyl group at position 3' and a 6,6-dimethyl-3,6-dihydro-2H-pyran ring fused across positions 5' and 6'. Isolated from the fruits of Mallotus philippensis, it exhibits anti-inflammatory and immunoregulatory activities.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H34O6
Net Charge 0
Average Mass 490.58740
Monoisotopic Mass 490.23554
InChI InChI=1S/C30H34O6/c1-18(2)7-6-8-19(3)9-12-21-27(34)22-15-16-30(4,5)36-29(22)26(28(21)35)24(32)14-11-20-10-13-23(31)25(33)17-20/h7,9-11,13-17,31,33-35H,6,8,12H2,1-5H3/b14-11+,19-9+
InChIKey NBJRNHOFHFJPDJ-GSFKWRMWSA-N
SMILES CC(C)=CCC\C(C)=C\Cc1c(O)c2C=CC(C)(C)Oc2c(C(=O)\C=C\c2ccc(O)c(O)c2)c1O
Metabolite of Species Details
Mallotus philippensis (NCBI:txid316645) Found in fruit (BTO:0000486). See: PubMed
Roles Classification
Biological Role(s): cyclooxygenase 2 inhibitor
A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing mallotophilippen D (CHEBI:66658) has role anti-inflammatory agent (CHEBI:67079)
mallotophilippen D (CHEBI:66658) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
mallotophilippen D (CHEBI:66658) has role EC 1.14.13.39 (nitric oxide synthase) inhibitor (CHEBI:61908)
mallotophilippen D (CHEBI:66658) has role metabolite (CHEBI:25212)
mallotophilippen D (CHEBI:66658) is a chalcones (CHEBI:23086)
mallotophilippen D (CHEBI:66658) is a chromenol (CHEBI:39436)
mallotophilippen D (CHEBI:66658) is a polyphenol (CHEBI:26195)
IUPAC Name
(2E)-3-(3,4-dihydroxyphenyl)-1-{6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl}prop-2-en-1-one
Registry Number Type Source
9886501 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15516755 PubMed citation Europe PMC
Last Modified
03 April 2013