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CHEBI:66083 - interiotherin B

Default Structure
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:
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 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