CHEBI:67629 - (+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,7'-epoxylignan-9,9'-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,7'-epoxylignan-9,9'-diol
ChEBI ID CHEBI:67629
ChEBI ASCII Name (+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,7'-epoxylignan-9,9'-diol
Definition A lignan isolated from the stems of Sinocalamus affinis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C23H30O9
Net Charge 0
Average Mass 450.47890
Monoisotopic Mass 450.18898
InChI InChI=1S/C23H30O9/c1-27-16-6-12(7-17(28-2)20(16)26)21-14(10-24)15(11-25)22(32-21)13-8-18(29-3)23(31-5)19(9-13)30-4/h6-9,14-15,21-22,24-26H,10-11H2,1-5H3/t14-,15-,21+,22+/m1/s1
InChIKey TXNROPYUDLUIHU-SDVFQCAASA-N
SMILES COc1cc(cc(OC)c1O)[C@@H]1O[C@H]([C@H](CO)[C@H]1CO)c1cc(OC)c(OC)c(OC)c1
Metabolite of Species Details
Sinocalamus affinis (IPNI:421970-1) Found in stem (BTO:0001300). 95% Ethanolic extract of skin-removed, air-dried, powdered stems. 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 (+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,7'-epoxylignan-9,9'-diol (CHEBI:67629) has role plant metabolite (CHEBI:76924)
(+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,7'-epoxylignan-9,9'-diol (CHEBI:67629) is a lignan (CHEBI:25036)
(+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,7'-epoxylignan-9,9'-diol (CHEBI:67629) is a methoxybenzenes (CHEBI:51683)
(+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,7'-epoxylignan-9,9'-diol (CHEBI:67629) is a oxolanes (CHEBI:26912)
(+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,7'-epoxylignan-9,9'-diol (CHEBI:67629) is a phenols (CHEBI:33853)
(+)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,7'-epoxylignan-9,9'-diol (CHEBI:67629) is a primary alcohol (CHEBI:15734)
IUPAC Name
4-[(2R,3S,4S,5R)-3,4-bis(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl]-2,6-dimethoxyphenol
Registry Number Type Source
26278236 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21469695 PubMed citation Europe PMC
Last Modified
08 October 2014