EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:6645 - magnoshinin

ChEBI IDCHEBI:6645
ChEBI Namemagnoshinin
Stars
DefinitionA neolignan that consists of 1,2-dihydronaphthalene substituted by a 2,4,5-trimethoxyphenyl group at position 1 (the 1S,2R stereoisomer), methyl groups at positions 2 and 3, and methoxy groups at positions 5, 7 and 8 respectively.
Last Modified31 May 2022
DownloadsMolfile
FormulaC24H30O6
Net Charge0
Average Mass414.498
Monoisotopic Mass414.20424
SMILESCOc1cc(OC)c([C@H]2c3c(c(OC)cc(OC)c3OC)C=C(C)[C@@H]2C)cc1OC
InChIInChI=1S/C24H30O6/c1-13-9-15-18(26-4)12-21(29-7)24(30-8)23(15)22(14(13)2)16-10-19(27-5)20(28-6)11-17(16)25-3/h9-12,14,22H,1-8H3/t14-,22-/m0/s1
InChIKeyMWJAXRZVJODRGN-FPTDNZKUSA-N
Roles Classification
Biological Role:
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)
magnoshinin (CHEBI:6645) has role anti-inflammatory agent (CHEBI:67079)
magnoshinin (CHEBI:6645) has role metabolite (CHEBI:25212)
magnoshinin (CHEBI:6645) is a methoxybenzenes (CHEBI:51683)
magnoshinin (CHEBI:6645) is a naphthalenes (CHEBI:25477)
magnoshinin (CHEBI:6645) is a neolignan (CHEBI:25497)
IUPAC Name 
(1S,2R)-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene
Manual XrefsDatabases
C00000725KNApSAcK
C10658KEGG COMPOUND
Registry NumbersSources
Reaxys:4592047Reaxys
CAS:86702-02-5ChemIDplus
CAS:86702-02-5KEGG COMPOUND
Citations