CHEBI:229724 - herquline A

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ChEBI Name herquline A
ChEBI ID CHEBI:229724
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H26N2O2
Net Charge 0
Average Mass 314.429
Monoisotopic Mass 314.19943
InChI InChI=1S/C19H26N2O2/c1-20-9-14-8-12-3-5-17(23)18-15-7-11(2-4-16(15)22)6-13(20)10-21(14)19(12)18/h7,12-15,18-19H,2-6,8-10H2,1H3/t12-,13+,14+,15+,18+,19+/m1/s1
InChIKey UFKNDVKQCSBIQE-OCANJJRCSA-N
SMILES [H][C@@]12C[C@@]3([H])CCC(=O)[C@@]4([H])[C@@]3([H])N1C[C@]([H])(CC1=C[C@@]4([H])C(=O)CC1)N(C)C2
Metabolite of Species Details
Penicillium herquei (NCBI:txid69774) of strain FKI-7215 See: PubMed
Penicillium herquei (NCBI:txid69774) of strain Fg-372 See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): antiviral agent
A substance that destroys or inhibits replication of viruses.
Penicillium metabolite
Any fungal metabolite produced during a metabolic reaction in Penicillium.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
Application(s): platelet aggregation inhibitor
A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
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ChEBI Ontology
Outgoing herquline A (CHEBI:229724) has role Penicillium metabolite (CHEBI:76964)
herquline A (CHEBI:229724) has role antiviral agent (CHEBI:22587)
herquline A (CHEBI:229724) has role platelet aggregation inhibitor (CHEBI:50427)
herquline A (CHEBI:229724) is a alkaloid (CHEBI:22315)
herquline A (CHEBI:229724) is a cyclic ketone (CHEBI:3992)
herquline A (CHEBI:229724) is a organic heteropentacyclic compound (CHEBI:38164)
herquline A (CHEBI:229724) is a tertiary amino compound (CHEBI:50996)
herquline A (CHEBI:229724) is conjugate base of herquline A(1+) (CHEBI:145880)
Incoming herquline A(1+) (CHEBI:145880) is conjugate acid of herquline A (CHEBI:229724)
IUPAC Name
(2S,5S,11R,11aR,14aR,14bS)-16-methyldodecahydro-4H-5,2-(epiminomethano)-11,7-(metheno)azacycloundecino[3,2,1-hi]indole-10,12-dione
Synonym Source
herquline KNApSAcK
Manual Xref Database
C00018235 KNApSAcK
View more database links
Registry Number Type Source
71812-08-3 CAS Registry Number KNApSAcK
Citations Waiting for Citations Types Sources
26999706 PubMed citation Europe PMC
27690412 PubMed citation Europe PMC
30561198 PubMed citation Europe PMC
34591372 PubMed citation Europe PMC
35244406 PubMed citation Europe PMC
36374102 PubMed citation Europe PMC
500499 PubMed citation Europe PMC
8609085 PubMed citation Europe PMC
Last Modified
07 March 2024