CHEBI:66082 - interiotherin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name interiotherin A
ChEBI ID CHEBI:66082
Definition A lignan with a dibenzocyclooctadiene skeleton 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 C29H28O8
Net Charge 0
Average Mass 504.52780
Monoisotopic Mass 504.17842
InChI InChI=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
InChIKey MBGKPRSARHEFAG-CCHLGUQTSA-N
SMILES COc1c2OCOc2cc2C[C@H](C)[C@H](C)[C@@H](OC(=O)c3ccccc3)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 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 Sources
(−)-interiotherin A ChemIDplus
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
Registry Numbers Types Sources
181701-06-4 CAS Registry Number ChemIDplus
9303748 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11402723 PubMed citation Europe PMC
12350139 PubMed citation Europe PMC
15844922 PubMed citation Europe PMC
16238330 PubMed citation Europe PMC
22906629 PubMed citation Europe PMC
22993989 PubMed citation Europe PMC
8946749 PubMed citation Europe PMC
Last Modified
16 September 2013