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CHEBI:66659 - (RS)-mallotophilippen E

Default Structure
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:
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).
cyclooxygenase 2 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
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