CHEBI:6645 - magnoshinin

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ChEBI Name magnoshinin
ChEBI ID CHEBI:6645
Definition A 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 repectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H30O6
Net Charge 0
Average Mass 414.49140
Monoisotopic Mass 414.20424
InChI InChI=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
InChIKey MWJAXRZVJODRGN-FPTDNZKUSA-N
SMILES COc1cc(OC)c(cc1OC)[C@@H]1[C@@H](C)C(C)=Cc2c(OC)cc(OC)c(OC)c12
Roles Classification
Biological Role(s): 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 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 Xrefs Databases
C00000725 KNApSAcK
C10658 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
4592047 Reaxys Registry Number Reaxys
86702-02-5 CAS Registry Number KEGG COMPOUND
86702-02-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1460807 PubMed citation Europe PMC
1712537 PubMed citation Europe PMC
1713572 PubMed citation Europe PMC
17340515 PubMed citation Europe PMC
8913501 PubMed citation Europe PMC
9716260 PubMed citation Europe PMC
Last Modified
28 July 2014