CHEBI:66083 - interiotherin B

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ChEBI Name interiotherin B
ChEBI ID CHEBI:66083
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H30O9
Net Charge 0
Average Mass 498.52170
Monoisotopic Mass 498.18898
InChI InChI=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
InChIKey KIOQRWNZGHZFHB-UFZBKZSQSA-N
SMILES COc1c2OCOc2cc2C[C@H](C)[C@](C)(O)[C@@H](OC(=O)C(\C)=C/C)c3cc4OCOc4c(OC)c3-c12
Metabolite of Species Details
Kadsura interior (IPNI:554578-1) Found in stem (BTO:0001300). Previous component: stem bark; See: PubMed
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Numbers Types Sources
181701-07-5 CAS Registry Number ChemIDplus
9305287 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12350139 PubMed citation Europe PMC
21232955 PubMed citation Europe PMC
23945017 PubMed citation Europe PMC
8946749 PubMed citation Europe PMC
Last Modified
16 September 2013