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CHEBI:66659 - (RS)-mallotophilippen E

ChEBI IDCHEBI:66659
ChEBI Name(RS)-mallotophilippen E
Stars
ASCII Name(RS)-mallotophilippen E
DefinitionA racemate composed of equimolar quantities of R- and S- mallotophilippen E. Isolated from the fruits of Mallotus philippensis, it exhibits anti-inflammatory and immunoregulatory activities.
Last Modified3 June 2014
DownloadsMolfile
FormulaC30H34O6
Net Charge0
Average Mass490.596
Monoisotopic Mass490.23554
SMILESCC(C)=CCCC1(C)C=Cc2c(O)c(CC=C(C)C)c(O)c(C(=O)/C=C/c3ccc(O)c(O)c3)c2O1
InChIInChI=1S/C30H34O6/c1-18(2)7-6-15-30(5)16-14-22-27(34)21(11-8-19(3)4)28(35)26(29(22)36-30)24(32)13-10-20-9-12-23(31)25(33)17-20/h7-10,12-14,16-17,31,33-35H,6,11,15H2,1-5H3/b13-10+
InChIKeySEHURCMYIALHJN-JLHYYAGUSA-N
Species of MetaboliteComponentSourceComments
Mallotus philippensis (ncbitaxon:316645) fruit (BTO:0000486) PubMed (15516755)
Roles Classification
Biological Roles:
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:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
(RS)-mallotophilippen E (CHEBI:66659) has part (R)-mallotophilippen E (CHEBI:73099)
(RS)-mallotophilippen E (CHEBI:66659) has part (S)-mallotophilippen E (CHEBI:73098)
(RS)-mallotophilippen E (CHEBI:66659) has role anti-inflammatory agent (CHEBI:67079)
(RS)-mallotophilippen E (CHEBI:66659) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
(RS)-mallotophilippen E (CHEBI:66659) has role EC 1.14.13.39 (nitric oxide synthase) inhibitor (CHEBI:61908)
(RS)-mallotophilippen E (CHEBI:66659) has role metabolite (CHEBI:25212)
(RS)-mallotophilippen E (CHEBI:66659) is a racemate (CHEBI:60911)
IUPAC Name 
rac-(2E)-1-[5,7-dihydroxy-2-methyl-6-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-2H-chromen-8-yl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Registry NumbersSources
Reaxys:9885501Reaxys
Citations