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CHEBI:66083 - interiotherin B

ChEBI IDCHEBI:66083
ChEBI Nameinteriotherin B
Stars
DefinitionA lignan with a dibenzocyclooctadiene skeleton attached to a fatty acid ester side chain. It is isolated from Kadsura interior and has been shown to exhibit anti-HIV activity.
Last Modified16 September 2013
DownloadsMolfile
FormulaC27H30O9
Net Charge0
Average Mass498.528
Monoisotopic Mass498.18898
SMILESC/C=C(/C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)C[C@H](C)[C@]1(C)O)OCO3
InChIInChI=1S/C27H30O9/c1-7-13(2)26(28)36-25-16-10-18-22(35-12-33-18)24(31-6)20(16)19-15(8-14(3)27(25,4)29)9-17-21(23(19)30-5)34-11-32-17/h7,9-10,14,25,29H,8,11-12H2,1-6H3/b13-7-/t14-,25-,27-/m0/s1
InChIKeyKIOQRWNZGHZFHB-UFZBKZSQSA-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 B (CHEBI:66083) has functional parent angelic acid (CHEBI:36431)
interiotherin B (CHEBI:66083) has role anti-HIV agent (CHEBI:64946)
interiotherin B (CHEBI:66083) has role metabolite (CHEBI:25212)
interiotherin B (CHEBI:66083) is a aromatic ether (CHEBI:35618)
interiotherin B (CHEBI:66083) is a fatty acid ester (CHEBI:35748)
interiotherin B (CHEBI:66083) is a lignan (CHEBI:25036)
interiotherin B (CHEBI:66083) is a organic heteropentacyclic compound (CHEBI:38164)
interiotherin B (CHEBI:66083) is a oxacycle (CHEBI:38104)
Synonym  Source
2-Butenoic acid, 2-methyl-, (5S,6S,7S,13aS)-5,6,7,8-tetrahydro-6-hydroxy-13,14-dimethoxy-6,7-dimethylcycloocta(1,2-f:3,4-f')bis(1,3)benzodioxol-5-yl ester, (2Z)-ChemIDplus
Registry NumbersSources
Reaxys:9305287Reaxys
CAS:181701-07-5ChemIDplus
Citations