CHEBI:90894 - (−)-5'-desmethylyatein

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ChEBI Name (−)-5'-desmethylyatein
ChEBI ID CHEBI:90894
ChEBI ASCII Name (-)-5'-desmethylyatein
Definition A butan-4-olide that is (−)-bursehernin bearing an additional hydroxy substituent at position 5 (adjacent to the two methoxy groups).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C21H22O7
Net Charge 0
Average Mass 386.396
Monoisotopic Mass 386.13655
InChI InChI=1S/C21H22O7/c1-24-19-9-13(7-16(22)20(19)25-2)6-15-14(10-26-21(15)23)5-12-3-4-17-18(8-12)28-11-27-17/h3-4,7-9,14-15,22H,5-6,10-11H2,1-2H3/t14-,15+/m0/s1
InChIKey PFCOJAPJHVVASV-LSDHHAIUSA-N
SMILES C([C@@H]1[C@H](COC1=O)CC2=CC=C3OCOC3=C2)C4=CC(=C(C(=C4)O)OC)OC
Metabolite of Species Details
Sinopodophyllum hexandrum (NCBI:txid93608) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (−)-5'-desmethylyatein (CHEBI:90894) has functional parent (−)-bursehernin (CHEBI:90893)
(−)-5'-desmethylyatein (CHEBI:90894) has role plant metabolite (CHEBI:76924)
(−)-5'-desmethylyatein (CHEBI:90894) is a benzodioxoles (CHEBI:38298)
(−)-5'-desmethylyatein (CHEBI:90894) is a butan-4-olide (CHEBI:22950)
(−)-5'-desmethylyatein (CHEBI:90894) is a dimethoxybenzene (CHEBI:51681)
(−)-5'-desmethylyatein (CHEBI:90894) is a lignan (CHEBI:25036)
(−)-5'-desmethylyatein (CHEBI:90894) is a phenols (CHEBI:33853)
IUPAC Name
(R,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3-hydroxy-4,5-dimethoxyphenyl)methyl]oxolan-2-one
Synonyms Sources
(−)-3-desmethylyatein ChEBI
(−)-5'-demethylyatein UniProt
3-demethylyatein ChEBI
Manual Xref Database
CPD-18755 MetaCyc
View more database links
Registry Number Type Source
4886287 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
26359402 PubMed citation SUBMITTER
Last Modified
03 March 2016