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CHEBI:66548 - lamellarin α 20-sulfate

ChEBI IDCHEBI:66548
ChEBI Namelamellarin α 20-sulfate
Stars
ASCII Namelamellarin alpha 20-sulfate
DefinitionAn 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.
Last Modified7 November 2024
DownloadsMolfile
FormulaC29H22NO11S.Na
Net Charge0
Average Mass615.548
Monoisotopic Mass615.08113
SMILESCOc1ccc(-c2c3c4cc(OC)c(OS(=O)(=O)[O-])cc4oc(=O)c3n3ccc4cc(OC)c(OC)cc4c23)cc1O.[Na+]
InChIInChI=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
InChIKeyXFFQTURHMBFHKK-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
unclassified Ascidiacea (ncbitaxon:948983) - PubMed (10354398) Ascidian (IIC-197) Strain: IIC-197
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:8382319Reaxys
Citations