CHEBI:67455 - interiotherin C

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ChEBI Name interiotherin C
ChEBI ID CHEBI:67455
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H36O10
Net Charge 0
Average Mass 556.60080
Monoisotopic Mass 556.23085
InChI InChI=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
InChIKey HIGLJZHMTBHEQS-HWZXAUMYSA-N
SMILES COc1cc2[C@H](OC(=O)C(\C)=C/C)[C@@H](C)[C@@H](C)[C@@H](OC(C)=O)c3cc4OCOc4c(OC)c3-c2c(OC)c1OC
Metabolite of Species Details
Kadsura ananosma (NCBI:txid133441) Found in seed (BTO:0001226). 70% aqueous acetone extract of air-dried and powdered seeds, biphenyl configuration is S See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): neuroprotective agent
Any compound that can be used for the treatment of neurodegenerative disorders.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Numbers Types Sources
460090-65-7 CAS Registry Number ChemIDplus
9306694 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17135051 PubMed citation Europe PMC
19023792 PubMed citation Europe PMC
21381710 PubMed citation Europe PMC
Last Modified
16 September 2013