CHEBI:67626 - (−)-(7R,8S,7'E)-3,4,5,5'-tetramethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol

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ChEBI Name (−)-(7R,8S,7'E)-3,4,5,5'-tetramethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol
ChEBI ID CHEBI:67626
ChEBI ASCII Name (-)-(7R,8S,7'E)-3,4,5,5'-tetramethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol
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 C22H26O7
Net Charge 0
Average Mass 402.43760
Monoisotopic Mass 402.16785
InChI InChI=1S/C22H26O7/c1-25-17-9-13(6-5-7-23)8-15-16(12-24)20(29-21(15)17)14-10-18(26-2)22(28-4)19(11-14)27-3/h5-6,8-11,16,20,23-24H,7,12H2,1-4H3/b6-5+/t16-,20+/m1/s1
InChIKey DKHAWRPWAKXFNA-MGSHXDRLSA-N
SMILES COc1cc(\C=C\CO)cc2[C@@H](CO)[C@@H](Oc12)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,8S,7'E)-3,4,5,5'-tetramethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol (CHEBI:67626) has role plant metabolite (CHEBI:76924)
(−)-(7R,8S,7'E)-3,4,5,5'-tetramethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol (CHEBI:67626) is a benzofurans (CHEBI:35259)
(−)-(7R,8S,7'E)-3,4,5,5'-tetramethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol (CHEBI:67626) is a methoxybenzenes (CHEBI:51683)
(−)-(7R,8S,7'E)-3,4,5,5'-tetramethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol (CHEBI:67626) is a neolignan (CHEBI:25497)
(−)-(7R,8S,7'E)-3,4,5,5'-tetramethoxy-4',7-epoxy-8,3'-neolign-7'-ene-9,9'-diol (CHEBI:67626) is a primary alcohol (CHEBI:15734)
IUPAC Name
(2E)-3-[(2R,3S)-3-(hydroxymethyl)-7-methoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-ol
Registry Number Type Source
7394089 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21469695 PubMed citation Europe PMC
Last Modified
06 October 2014