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CHEBI:66082 - interiotherin A

Default Structure
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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
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