CHEBI:67622 - (+)-(7'S,8S,8'S)-3',4-dihydroxy-2',3,4',5-tetramethoxy-6',9-epoxy-2,7'-cyclolignan-9'-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (+)-(7'S,8S,8'S)-3',4-dihydroxy-2',3,4',5-tetramethoxy-6',9-epoxy-2,7'-cyclolignan-9'-ol
ChEBI ID CHEBI:67622
ChEBI ASCII Name (+)-(7'S,8S,8'S)-3',4-dihydroxy-2',3,4',5-tetramethoxy-6',9-epoxy-2,7'-cyclolignan-9'-ol
Definition A lignan 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 C22H26O8
Net Charge 0
Average Mass 418.43700
Monoisotopic Mass 418.16277
InChI InChI=1S/C22H26O8/c1-26-14-6-10-5-11-9-30-13-7-15(27-2)20(25)22(29-4)18(13)17(12(11)8-23)16(10)21(28-3)19(14)24/h6-7,11-12,17,23-25H,5,8-9H2,1-4H3/t11-,12-,17+/m1/s1
InChIKey VCZWWJGHKZTTAS-QFSBIZTOSA-N
SMILES COc1cc2C[C@@H]3COc4cc(OC)c(O)c(OC)c4[C@@H]([C@@H]3CO)c2c(OC)c1O
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 (+)-(7'S,8S,8'S)-3',4-dihydroxy-2',3,4',5-tetramethoxy-6',9-epoxy-2,7'-cyclolignan-9'-ol (CHEBI:67622) has role plant metabolite (CHEBI:76924)
(+)-(7'S,8S,8'S)-3',4-dihydroxy-2',3,4',5-tetramethoxy-6',9-epoxy-2,7'-cyclolignan-9'-ol (CHEBI:67622) is a aromatic ether (CHEBI:35618)
(+)-(7'S,8S,8'S)-3',4-dihydroxy-2',3,4',5-tetramethoxy-6',9-epoxy-2,7'-cyclolignan-9'-ol (CHEBI:67622) is a lignan (CHEBI:25036)
(+)-(7'S,8S,8'S)-3',4-dihydroxy-2',3,4',5-tetramethoxy-6',9-epoxy-2,7'-cyclolignan-9'-ol (CHEBI:67622) is a polyphenol (CHEBI:26195)
(+)-(7'S,8S,8'S)-3',4-dihydroxy-2',3,4',5-tetramethoxy-6',9-epoxy-2,7'-cyclolignan-9'-ol (CHEBI:67622) is a primary alcohol (CHEBI:15734)
IUPAC Name
(7S,13S,14S)-14-(hydroxymethyl)-1,3,10,12-tetramethoxy-6,7,8,13-tetrahydro-7,13-methanodibenzo[b,e]oxonine-2,11-diol
Registry Number Type Source
21559776 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21469695 PubMed citation Europe PMC
Last Modified
06 October 2014