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CHEBI:66082 - interiotherin A

ChEBI IDCHEBI:66082
ChEBI Nameinteriotherin A
Stars
DefinitionA lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura interior and has been shown to exhibit anti-HIV activity.
Last Modified16 September 2013
DownloadsMolfile
FormulaC29H28O8
Net Charge0
Average Mass504.535
Monoisotopic Mass504.17842
SMILESCOc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](OC(=O)c1ccccc1)[C@@H](C)[C@@H](C)C3)OCO2
InChIInChI=1S/C29H28O8/c1-15-10-18-11-20-25(35-13-33-20)27(31-3)22(18)23-19(12-21-26(28(23)32-4)36-14-34-21)24(16(15)2)37-29(30)17-8-6-5-7-9-17/h5-9,11-12,15-16,24H,10,13-14H2,1-4H3/t15-,16-,24+/m0/s1
InChIKeyMBGKPRSARHEFAG-CCHLGUQTSA-N
Species of MetaboliteComponentSourceComments
Kadsura interior (IPNI:554578-1) stem (BTO:0001300) PubMed (8946749) Previous component: stem bark;
Roles Classification
Biological Roles:
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
interiotherin A (CHEBI:66082) has role anti-HIV agent (CHEBI:64946)
interiotherin A (CHEBI:66082) has role metabolite (CHEBI:25212)
interiotherin A (CHEBI:66082) is a aromatic ether (CHEBI:35618)
interiotherin A (CHEBI:66082) is a benzoate ester (CHEBI:36054)
interiotherin A (CHEBI:66082) is a lignan (CHEBI:25036)
interiotherin A (CHEBI:66082) is a organic heteropentacyclic compound (CHEBI:38164)
interiotherin A (CHEBI:66082) is a oxacycle (CHEBI:38104)
Synonyms  Source
Cycloocta(1,2-f:3,4-f')bis(1,3)benzodioxol-5-ol, 5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, benzoate(5R,6S,7S,13aS)ChemIDplus
(−)-interiotherin AChemIDplus
Registry NumbersSources
Reaxys:9303748Reaxys
CAS:181701-06-4ChemIDplus
Citations