CHEBI:67627 - (+)-(7S,8R,7'E)-4-hydroxy-3,5'-dimethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol-9'-ethyl ether

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ChEBI Name (+)-(7S,8R,7'E)-4-hydroxy-3,5'-dimethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol-9'-ethyl ether
ChEBI ID CHEBI:67627
ChEBI ASCII Name (+)-(7S,8R,7'E)-4-hydroxy-3,5'-dimethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol-9'-ethyl ether
Definition A neolignan isolated from the stems of Sinocalamus affinis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H26O6
Net Charge 0
Average Mass 386.43820
Monoisotopic Mass 386.17294
InChI InChI=1S/C22H26O6/c1-4-27-9-5-6-14-10-16-17(13-23)21(28-22(16)20(11-14)26-3)15-7-8-18(24)19(12-15)25-2/h5-8,10-12,17,21,23-24H,4,9,13H2,1-3H3/b6-5+/t17-,21+/m0/s1
InChIKey BZEQILYKRZZMGE-DFUKUNQBSA-N
SMILES CCOC\C=C\c1cc2[C@H](CO)[C@H](Oc2c(OC)c1)c1ccc(O)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 (+)-(7S,8R,7'E)-4-hydroxy-3,5'-dimethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol-9'-ethyl ether (CHEBI:67627) has role plant metabolite (CHEBI:76924)
(+)-(7S,8R,7'E)-4-hydroxy-3,5'-dimethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol-9'-ethyl ether (CHEBI:67627) is a benzofurans (CHEBI:35259)
(+)-(7S,8R,7'E)-4-hydroxy-3,5'-dimethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol-9'-ethyl ether (CHEBI:67627) is a guaiacols (CHEBI:134251)
(+)-(7S,8R,7'E)-4-hydroxy-3,5'-dimethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol-9'-ethyl ether (CHEBI:67627) is a neolignan (CHEBI:25497)
IUPAC Name
4-[(2S,3R)-5-[(1E)-3-ethoxyprop-1-en-1-yl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
Registry Number Type Source
21559769 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21469695 PubMed citation Europe PMC
Last Modified
07 April 2017