CHEBI:66081 - integric acid

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ChEBI Name integric acid
ChEBI ID CHEBI:66081
Definition An eremophilane sesquiterpenoid with anti-HIV-1 activity. It is isolated from Xylaria sp. MF6254.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H34O6
Net Charge 0
Average Mass 430.53390
Monoisotopic Mass 430.23554
InChI InChI=1S/C25H34O6/c1-6-7-8-15(2)11-16(3)24(30)31-22-10-9-19(23(28)29)25(5)13-18(17(4)14-26)21(27)12-20(22)25/h11-12,14-15,18-19,22H,4,6-10,13H2,1-3,5H3,(H,28,29)/b16-11+/t15-,18-,19+,22+,25+/m0/s1
InChIKey UIXJDFDDMXCJCT-DVRXSGNOSA-N
SMILES CCCC[C@H](C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)C[C@@H](C(=C)C=O)C(=O)C=C12
Metabolite of Species Details
Xylaria (NCBI:txid37991) of strain MF 6254 See: DOI
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.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing integric acid (CHEBI:66081) has role HIV-1 integrase inhibitor (CHEBI:67268)
integric acid (CHEBI:66081) has role metabolite (CHEBI:25212)
integric acid (CHEBI:66081) is a carboxylic ester (CHEBI:33308)
integric acid (CHEBI:66081) is a cyclic ketone (CHEBI:3992)
integric acid (CHEBI:66081) is a dioxo monocarboxylic acid (CHEBI:35951)
integric acid (CHEBI:66081) is a enal (CHEBI:51688)
integric acid (CHEBI:66081) is a enone (CHEBI:51689)
integric acid (CHEBI:66081) is a eremophilane sesquiterpenoid (CHEBI:36753)
IUPAC Name
(1S,4R,7S,8aR)-4-{[(2E,4S)-2,4-dimethyloct-2-enoyl]oxy}-8a-methyl-6-oxo-7-(3-oxoprop-1-en-2-yl)-1,2,3,4,6,7,8,8a-octahydronaphthalene-1-carboxylic acid
Registry Number Type Source
19897595 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10335400 PubMed citation Europe PMC
10698443 PubMed citation Europe PMC
10934347 PubMed citation Europe PMC
14529524 PubMed citation Europe PMC
19860426 PubMed citation Europe PMC
Last Modified
02 October 2012