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CHEBI:66140 - karalicin

ChEBI IDCHEBI:66140
ChEBI Namekaralicin
Stars
DefinitionA pentitol derivative that is 3-O-acetyl-1-deoxypentitol substituted by a 4-methoxyphenyl group at position 1. Isolated from the fermentation broth of Pseudomonas fluorescens and Pseudomonas putida, it exhibits anti-HSV-1 activity.
Last Modified29 January 2015
DownloadsMolfile
FormulaC14H20O6
Net Charge0
Average Mass284.308
Monoisotopic Mass284.12599
SMILESCOc1ccc(CC(O)C(OC(C)=O)C(O)CO)cc1
InChIInChI=1S/C14H20O6/c1-9(16)20-14(13(18)8-15)12(17)7-10-3-5-11(19-2)6-4-10/h3-6,12-15,17-18H,7-8H2,1-2H3
InChIKeyJATBUOZGJQJSGA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas putida (ncbitaxon:303) - PubMed (8626242) Co-cultured with pseudomonas fluorescens Strain: SS 3(CCM4430)
Pseudomonas fluorescens (ncbitaxon:294) - PubMed (8626242) Co-cultured with pseudomonas putida Strain: SS 3(CCM4430)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
anti-HSV-1 agent  An anti-HSV agent agent that destroys or inhibits the replication of herpes simplex virus-1.
ChEBI Ontology
Outgoing Relation(s)
karalicin (CHEBI:66140) has role anti-HSV-1 agent (CHEBI:64953)
karalicin (CHEBI:66140) has role metabolite (CHEBI:25212)
karalicin (CHEBI:66140) is a acetate ester (CHEBI:47622)
karalicin (CHEBI:66140) is a monomethoxybenzene (CHEBI:25235)
karalicin (CHEBI:66140) is a pentitol derivative (CHEBI:63434)
karalicin (CHEBI:66140) is a triol (CHEBI:27136)
IUPAC Name 
3-O-acetyl-1-deoxy-1-(4-methoxyphenyl)pentitol
Synonym  Source
[1,2,4-trihydroxy-5-(4-methoxyphenyl)pentan-3-yl] acetateChEBI
Registry NumbersSources
Reaxys:7816467Reaxys
Citations