EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:66258 - torvanol A

ChEBI IDCHEBI:66258
ChEBI Nametorvanol A
Stars
DefinitionAn organic potassium salt of torvanol A hydrogen sulfate. Isolated from the fruits of Solanum torvum, it exhibits antiviral activity against herpes simplex virus type 1.
Last Modified26 November 2014
DownloadsMolfile
FormulaC20H19O10S.K
Net Charge0
Average Mass490.527
Monoisotopic Mass490.03360
SMILESCOc1ccc2c(c1)[C@@H](OS(=O)(=O)[O-])[C@H](c1cc(/C=C/C(=O)O)cc(OC)c1O)CO2.[K+]
InChIInChI=1S/C20H20O10S.K/c1-27-12-4-5-16-14(9-12)20(30-31(24,25)26)15(10-29-16)13-7-11(3-6-18(21)22)8-17(28-2)19(13)23;/h3-9,15,20,23H,10H2,1-2H3,(H,21,22)(H,24,25,26);/q;+1/p-1/b6-3+;/t15-,20+;/m0./s1
InChIKeyOYAPXMLXMKSIDT-WSCZMHPESA-M
Species of MetaboliteComponentSourceComments
Solanum torvum (ncbitaxon:119830) fruit (BTO:0000486) PubMed (11830167)
Roles Classification
Biological Roles:
anti-HSV-1 agent  An anti-HSV agent agent that destroys or inhibits the replication of herpes simplex virus-1.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
torvanol A (CHEBI:66258) has part torvanol A(1−) (CHEBI:83882)
torvanol A (CHEBI:66258) has role anti-HSV-1 agent (CHEBI:64953)
torvanol A (CHEBI:66258) has role plant metabolite (CHEBI:76924)
torvanol A (CHEBI:66258) is a organic potassium salt (CHEBI:50394)
IUPAC Name 
rel-potassium (3R,4S)-3-{5-[(E)-2-carboxyethenyl]-2-hydroxy-3-methoxyphenyl}-6-methoxy-3,4-dihydro-2H-chromen-4-yl sulfate
Registry NumbersSources
Reaxys:9178609Reaxys
Citations