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CHEBI:145778 - sesaminol

ChEBI IDCHEBI:145778
ChEBI Namesesaminol
Stars
DefinitionA furofuran that is cis-tetrahydro-1H,3H-furo[3,4-c]furan substituted by a 6-hydroxy-1,3-benzodioxol-5-yl group at position 1S and a 1,3-benzodioxol-5-yl group at position 4S. It is metabolite found in sesame seeds.
Last Modified10 January 2020
SubmitterAdnan
DownloadsMolfile
FormulaC20H18O7
Net Charge0
Average Mass370.357
Monoisotopic Mass370.10525
SMILES[H][C@]12CO[C@H](c3cc4c(cc3O)OCO4)[C@@]1([H])CO[C@@H]2c1ccc2c(c1)OCO2
InChIInChI=1S/C20H18O7/c21-14-5-18-17(26-9-27-18)4-11(14)20-13-7-22-19(12(13)6-23-20)10-1-2-15-16(3-10)25-8-24-15/h1-5,12-13,19-21H,6-9H2/t12-,13-,19+,20+/m0/s1
InChIKeyKQRXQIPRDKVZPW-ISZNXKAUSA-N
Species of MetaboliteComponentSourceComments
Sesamum indicum (ncbitaxon:4182) seed (PO:0009010) PubMed (18248594)
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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)
sesaminol (CHEBI:145778) has role antioxidant (CHEBI:22586)
sesaminol (CHEBI:145778) has role plant metabolite (CHEBI:76924)
sesaminol (CHEBI:145778) is a benzodioxoles (CHEBI:38298)
sesaminol (CHEBI:145778) is a furofuran (CHEBI:47790)
sesaminol (CHEBI:145778) is a organic hydroxy compound (CHEBI:33822)
Incoming Relation(s)
sesaminol 2-O-β-D-gentiobioside (CHEBI:145785) has functional parent sesaminol (CHEBI:145778)
sesaminol 2-O-β-D-glucoside (CHEBI:145784) has functional parent sesaminol (CHEBI:145778)
IUPAC Name 
6-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-ol
Synonyms  Source
(+)-sesaminolMetaCyc
(1S-(1α,3aα,4α,6aα))-6-(4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-1,3-benzodioxol-5-olChemIDplus
justisolinHMDB
Manual XrefsDatabases
CPD-14837MetaCyc
FDB018404FooDB
HMDB0038932HMDB
Registry NumbersSources
CAS:74061-79-3ChemIDplus
Citations