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CHEBI:229724 - herquline A
| Formula | C19H26N2O2 |
| Net Charge | 0 |
| Average Mass | 314.429 |
| Monoisotopic Mass | 314.19943 |
| SMILES | [H][C@@]12CC3=C[C@@]([H])(C(=O)CC3)[C@@]3([H])C(=O)CC[C@]4([H])C[C@@]([H])(CN1C)N(C2)[C@@]43[H] |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium herquei (ncbitaxon:69774) | |||
| - | PubMed (26999706) | Strain: FKI-7215 | |
| - | PubMed (500499) | Strain: Fg-372 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | Penicillium metabolite Any fungal metabolite produced during a metabolic reaction in Penicillium. 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. |
| Application: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 Xrefs | Databases |
|---|---|
| C00018235 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| CAS:71812-08-3 | KNApSAcK |
| Citations |
|---|