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CHEBI:141003 - 4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol

Default Structure
ChEBI IDCHEBI:141003
ChEBI Name4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol
Stars
ASCII Name4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol
DefinitionA furofuran that is tetrahydro-1H,3H-furo[3,4-c]furan which is substituted at positions 1 and 4 by 4-hydroxy-3-methoxyphenyl and 1,3-benzodioxol-5-yl groups, respectively (the 1S,3aR,4S,6aR stereoisomer). The biosynthetic precursor of (+)-sesamin.
Last Modified13 June 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H20O6
Net Charge0
Average Mass356.374
Monoisotopic Mass356.12599
SMILES[H][C@]12CO[C@H](c3ccc4c(c3)OCO4)[C@@]1([H])CO[C@@H]2c1ccc(O)c(OC)c1
InChIInChI=1S/C20H20O6/c1-22-17-6-11(2-4-15(17)21)19-13-8-24-20(14(13)9-23-19)12-3-5-16-18(7-12)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19+,20+/m0/s1
InChIKeyVBIRCRCPHNUJAS-AFHBHXEDSA-N
Species of MetaboliteComponentSourceComments
Paulownia tomentosa (ncbitaxon:39353) - PubMed (17269086)
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.
ChEBI Ontology
Outgoing Relation(s)
4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol (CHEBI:141003) has role plant metabolite (CHEBI:76924)
4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol (CHEBI:141003) is a aromatic ether (CHEBI:35618)
4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol (CHEBI:141003) is a benzodioxoles (CHEBI:38298)
4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol (CHEBI:141003) is a furofuran (CHEBI:47790)
4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol (CHEBI:141003) is a lignan (CHEBI:25036)
4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol (CHEBI:141003) is a phenols (CHEBI:33853)
IUPAC Name 
4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenol
Synonym  Source
(+)-piperitolChEBI
UniProt Name  Source
(+)-piperitolUniProt
Manual XrefsDatabases
CPD-8921MetaCyc
Citations