CHEBI:67641 - (−)-(7''S,8''S)-4'',5,7-trihydroxy-3',5'-dimethoxy-4',8''-oxyflavonolignan-7'',9''-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (−)-(7''S,8''S)-4'',5,7-trihydroxy-3',5'-dimethoxy-4',8''-oxyflavonolignan-7'',9''-diol
ChEBI ID CHEBI:67641
ChEBI ASCII Name (-)-(7''S,8''S)-4'',5,7-trihydroxy-3',5'-dimethoxy-4',8''-oxyflavonolignan-7'',9''-diol
Definition A flavonolignan 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 C26H24O10
Net Charge 0
Average Mass 496.46280
Monoisotopic Mass 496.13695
InChI InChI=1S/C26H24O10/c1-33-21-7-14(19-11-18(31)24-17(30)9-16(29)10-20(24)35-19)8-22(34-2)26(21)36-23(12-27)25(32)13-3-5-15(28)6-4-13/h3-11,23,25,27-30,32H,12H2,1-2H3/t23-,25-/m0/s1
InChIKey XWGDMVNWFZRSNF-ZCYQVOJMSA-N
SMILES COc1cc(cc(OC)c1O[C@@H](CO)[C@@H](O)c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
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,8''S)-4'',5,7-trihydroxy-3',5'-dimethoxy-4',8''-oxyflavonolignan-7'',9''-diol (CHEBI:67641) has role plant metabolite (CHEBI:76924)
(−)-(7''S,8''S)-4'',5,7-trihydroxy-3',5'-dimethoxy-4',8''-oxyflavonolignan-7'',9''-diol (CHEBI:67641) is a dimethoxybenzene (CHEBI:51681)
(−)-(7''S,8''S)-4'',5,7-trihydroxy-3',5'-dimethoxy-4',8''-oxyflavonolignan-7'',9''-diol (CHEBI:67641) is a flavonolignan (CHEBI:72709)
(−)-(7''S,8''S)-4'',5,7-trihydroxy-3',5'-dimethoxy-4',8''-oxyflavonolignan-7'',9''-diol (CHEBI:67641) is a polyphenol (CHEBI:26195)
(−)-(7''S,8''S)-4'',5,7-trihydroxy-3',5'-dimethoxy-4',8''-oxyflavonolignan-7'',9''-diol (CHEBI:67641) is a primary alcohol (CHEBI:15734)
(−)-(7''S,8''S)-4'',5,7-trihydroxy-3',5'-dimethoxy-4',8''-oxyflavonolignan-7'',9''-diol (CHEBI:67641) is a secondary alcohol (CHEBI:35681)
IUPAC Name
2-(4-{[(1S,2S)-1,3-dihydroxy-1-(4-hydroxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
Registry Number Type Source
21559779 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21469695 PubMed citation Europe PMC
Last Modified
10 October 2014