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CHEBI:65718 - cytonic acid B

Default Structure
ChEBI IDCHEBI:65718
ChEBI Namecytonic acid B
Stars
DefinitionA benzoate ester obtained by the formal condensation of the carboxy group of 4-[(2,4-dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-6-propylbenzoic acid with the 4-hydroxy group of 2,4-dihydroxy-6-pentylbenzoic acid (olivetolic acid). It is isolated from the endophytic fungi Cytonaema and acts as an inhibitor of human cytomegalovirus (hCMV) protease.
Last Modified3 October 2012
DownloadsMolfile
FormulaC32H36O10
Net Charge0
Average Mass580.630
Monoisotopic Mass580.23085
SMILESCCCCCc1cc(OC(=O)c2c(O)cc(OC(=O)c3c(O)cc(O)cc3CCC)cc2CCC)cc(O)c1C(=O)O
InChIInChI=1S/C32H36O10/c1-4-7-8-11-20-14-23(16-25(35)27(20)30(37)38)42-32(40)29-19(10-6-3)13-22(17-26(29)36)41-31(39)28-18(9-5-2)12-21(33)15-24(28)34/h12-17,33-36H,4-11H2,1-3H3,(H,37,38)
InChIKeyNUJLMXRQKUYQKE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cytonaema (mycobank:7899) - PubMed (10843568)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
protease inhibitor  A compound which inhibits or antagonizes the biosynthesis or actions of proteases (endopeptidases).
ChEBI Ontology
Outgoing Relation(s)
cytonic acid B (CHEBI:65718) has functional parent olivetolic acid (CHEBI:66955)
cytonic acid B (CHEBI:65718) has role antiviral agent (CHEBI:22587)
cytonic acid B (CHEBI:65718) has role metabolite (CHEBI:25212)
cytonic acid B (CHEBI:65718) has role protease inhibitor (CHEBI:37670)
cytonic acid B (CHEBI:65718) is a benzoate ester (CHEBI:36054)
cytonic acid B (CHEBI:65718) is a monohydroxybenzoic acid (CHEBI:25389)
cytonic acid B (CHEBI:65718) is a resorcinols (CHEBI:33572)
IUPAC Name 
4-({4-[(2,4-dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-6-propylbenzoyl}oxy)-2-hydroxy-6-pentylbenzoic acid
Registry NumbersSources
Reaxys:8667710Reaxys
Citations