magnoshinin (CHEBI:6645)

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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 respectively.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C24H30O6

Net Charge

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.

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

Last Modified

31 May 2022