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CHEBI:47 - (+)-syringaresinol

ChEBI IDCHEBI:47
ChEBI Name(+)-syringaresinol
Stars
DefinitionThe (7α,7'α,8α,8'α)-stereoisomer of syringaresinol.
Last Modified29 January 2015
DownloadsMolfile
FormulaC22H26O8
Net Charge0
Average Mass418.442
Monoisotopic Mass418.16277
SMILES[H][C@]12CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@@]1([H])CO[C@@H]2c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1
InChIKeyKOWMJRJXZMEZLD-HCIHMXRSSA-N
Species of MetaboliteComponentSourceComments
Arcangelisia gusanlung (ncbitaxon:432629) stem (BTO:0001300) PubMed (21500777) MeOH extract of air-dried and smashed stems
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
(+)-syringaresinol (CHEBI:47) has role antineoplastic agent (CHEBI:35610)
(+)-syringaresinol (CHEBI:47) is a syringaresinol (CHEBI:49211)
(+)-syringaresinol (CHEBI:47) is enantiomer of (−)-syringaresinol (CHEBI:49212)
Incoming Relation(s)
(+)-syringaresinol β-D-glucoside (CHEBI:28603) has functional parent (+)-syringaresinol (CHEBI:47)
(−)-syringaresinol (CHEBI:49212) is enantiomer of (+)-syringaresinol (CHEBI:47)
IUPAC Name 
(7α,7'α,8α,8'α)-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane-4,4'-diol
Synonyms  Source
(+)-SyringaresinolKEGG COMPOUND
4,4'-(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(2,6-dimethoxyphenol)IUPAC
Manual XrefsDatabases
C10889KEGG COMPOUND
C00002631KNApSAcK
Registry NumbersSources
Reaxys:4585066Reaxys
CAS:21453-69-0KEGG COMPOUND
CAS:21453-69-0ChemIDplus
Citations