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CHEBI:67455 - interiotherin C

ChEBI IDCHEBI:67455
ChEBI Nameinteriotherin C
Stars
DefinitionA lignan with a dibenzocyclooctadiene skeleton attached to a fatty acid ester and acetate side chains. It is isolated from Kadsura ananosma and has been shown to exhibit neuroprotective activity.
Last Modified16 September 2013
DownloadsMolfile
FormulaC30H36O10
Net Charge0
Average Mass556.608
Monoisotopic Mass556.23085
SMILESC/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@@H]1C
InChIInChI=1S/C30H36O10/c1-10-14(2)30(32)40-25-16(4)15(3)24(39-17(5)31)19-12-21-27(38-13-37-21)29(36-9)23(19)22-18(25)11-20(33-6)26(34-7)28(22)35-8/h10-12,15-16,24-25H,13H2,1-9H3/b14-10-/t15-,16+,24-,25-/m1/s1
InChIKeyHIGLJZHMTBHEQS-HWZXAUMYSA-N
Species of MetaboliteComponentSourceComments
Kadsura ananosma (ncbitaxon:133441) seed (BTO:0001226) PubMed (21381710) 70% aqueous acetone extract of air-dried and powdered seeds, biphenyl configuration is S
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
ChEBI Ontology
Outgoing Relation(s)
interiotherin C (CHEBI:67455) has functional parent angelic acid (CHEBI:36431)
interiotherin C (CHEBI:67455) has role metabolite (CHEBI:25212)
interiotherin C (CHEBI:67455) has role neuroprotective agent (CHEBI:63726)
interiotherin C (CHEBI:67455) is a acetate ester (CHEBI:47622)
interiotherin C (CHEBI:67455) is a aromatic ether (CHEBI:35618)
interiotherin C (CHEBI:67455) is a fatty acid ester (CHEBI:35748)
interiotherin C (CHEBI:67455) is a lignan (CHEBI:25036)
interiotherin C (CHEBI:67455) is a organic heterotetracyclic compound (CHEBI:38163)
interiotherin C (CHEBI:67455) is a oxacycle (CHEBI:38104)
IUPAC Name 
(5R,6S,7R,8R)-8-(acetyloxy)-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl (2Z)-2-methylbut-2-enoate
Synonym  Source
2-Butenoic acid, 2-methyl-, (5R,6S,7R,8R,13aS)-8-(acetyloxy)-5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-5-ylester, (2Z)-ChemIDplus
Registry NumbersSources
Reaxys:9306694Reaxys
CAS:460090-65-7ChemIDplus
Citations