CHEBI:65718 - cytonic acid B

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ChEBI Name cytonic acid B
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C32H36O10
Net Charge 0
Average Mass 580.62220
Monoisotopic Mass 580.23085
InChI InChI=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)
SMILES CCCCCc1cc(OC(=O)c2c(O)cc(OC(=O)c3c(O)cc(O)cc3CCC)cc2CCC)cc(O)c1C(O)=O
Metabolite of Species Details
Cytonaema (MB:7899) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antiviral agent
A substance that destroys or inhibits replication of viruses.
protease inhibitor
A compound which inhibits or antagonizes the biosynthesis or actions of proteases (endopeptidases).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
4-({4-[(2,4-dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-6-propylbenzoyl}oxy)-2-hydroxy-6-pentylbenzoic acid
Registry Number Type Source
8667710 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
10843568 PubMed citation Europe PMC
Last Modified
03 October 2012