CHEBI:66548 - lamellarin α 20-sulfate

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ChEBI Name lamellarin α 20-sulfate
ChEBI ID CHEBI:66548
ChEBI ASCII Name lamellarin alpha 20-sulfate
Definition An organic sodium salt of lamellarin α 20-hydrogen sulfate. It is isolated from an unidentified ascidian (IIC-197) and exhibits inhibitory activity against HIV-1 integrase.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H22NNaO11S
Net Charge 0
Average Mass 615.54000
Monoisotopic Mass 615.08113
InChI InChI=1S/C29H23NO11S.Na/c1-36-19-6-5-15(9-18(19)31)25-26-17-12-23(39-4)24(41-42(33,34)35)13-20(17)40-29(32)28(26)30-8-7-14-10-21(37-2)22(38-3)11-16(14)27(25)30;/h5-13,31H,1-4H3,(H,33,34,35);/q;+1/p-1
InChIKey XFFQTURHMBFHKK-UHFFFAOYSA-M
SMILES [Na+].COc1ccc(cc1O)-c1c2c3cc(OC)c(OS([O-])(=O)=O)cc3oc(=O)c2n2ccc3cc(OC)c(OC)cc3c12
Metabolite of Species Details
Ascidian (IIC-197) See: PubMed
Roles Classification
Biological Role(s): HIV-1 integrase inhibitor
An inhibitor of HIV-1 integrase, an enzyme required for the integration of the genetic material of the retrovirus into the DNA of the infected cells.
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 lamellarin α 20-sulfate (CHEBI:66548) has part lamellarin α 20-sulfate(1−) (CHEBI:72791)
lamellarin α 20-sulfate (CHEBI:66548) has role HIV-1 integrase inhibitor (CHEBI:67268)
lamellarin α 20-sulfate (CHEBI:66548) has role metabolite (CHEBI:25212)
lamellarin α 20-sulfate (CHEBI:66548) is a organic sodium salt (CHEBI:38700)
IUPAC Name
sodium 14-(3-hydroxy-4-methoxyphenyl)-2,11,12-trimethoxy-6-oxo-6H-chromeno[4',3':4,5]pyrrolo[2,1-a]isoquinolin-3-yl sulfate
Registry Number Type Source
8382319 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10354398 PubMed citation Europe PMC
12150874 PubMed citation Europe PMC
22071527 PubMed citation Europe PMC
Last Modified
19 March 2013