EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:5834 - hyperforin
| Formula | C35H52O4 |
| Net Charge | 0 |
| Average Mass | 536.797 |
| Monoisotopic Mass | 536.38656 |
| SMILES | CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O |
| InChI | InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1 |
| InChIKey | IWBJJCOKGLUQIZ-HQKKAZOISA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. GABA reuptake inhibitor A compound that inhibits the re-uptake of the neurotransmitter GABA from the synapse into the pre-synaptic neuron, so increasing the extracellular concentrations of the neurotransmitter and hence increasing neurotransmission. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. GABA reuptake inhibitor A compound that inhibits the re-uptake of the neurotransmitter GABA from the synapse into the pre-synaptic neuron, so increasing the extracellular concentrations of the neurotransmitter and hence increasing neurotransmission. anti-inflammatory agent Any compound that has anti-inflammatory effects. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| hyperforin (CHEBI:5834) has role anti-inflammatory agent (CHEBI:67079) |
| hyperforin (CHEBI:5834) has role antibacterial agent (CHEBI:33282) |
| hyperforin (CHEBI:5834) has role antidepressant (CHEBI:35469) |
| hyperforin (CHEBI:5834) has role antineoplastic agent (CHEBI:35610) |
| hyperforin (CHEBI:5834) has role apoptosis inducer (CHEBI:68495) |
| hyperforin (CHEBI:5834) has role GABA reuptake inhibitor (CHEBI:85384) |
| hyperforin (CHEBI:5834) has role plant metabolite (CHEBI:76924) |
| hyperforin (CHEBI:5834) is a carbobicyclic compound (CHEBI:36785) |
| hyperforin (CHEBI:5834) is a cyclic terpene ketone (CHEBI:36130) |
| hyperforin (CHEBI:5834) is a sesquarterpenoid (CHEBI:51961) |
| IUPAC Name |
|---|
| (1R,5S,6R,7S)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione |
| Synonyms | Source |
|---|---|
| Hyperforin | KEGG COMPOUND |
| (1R,5S,6R,7S)-4-hydroxy-5-isobutyryl-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione | IUPAC |
| hiperforina | ChEBI |
| hyperforine | ChEBI |
| UniProt Name | Source |
|---|---|
| hyperforin | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C07608 | KEGG COMPOUND |
| DB01892 | DrugBank |
| Hyperforin | Wikipedia |
| C00034542 | KNApSAcK |
| HMDB0030463 | HMDB |
| HYF | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6785663 | Reaxys |
| CAS:11079-53-1 | KEGG COMPOUND |
| CAS:11079-53-1 | ChemIDplus |
| Citations |
|---|