EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:68792 - asperentin
| Formula | C16H20O5 |
| Net Charge | 0 |
| Average Mass | 292.331 |
| Monoisotopic Mass | 292.13107 |
| SMILES | [H][C@]1(CC2Cc3cc(O)cc(O)c3C(=O)O2)CCC[C@H](C)O1 |
| InChI | InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13?/m0/s1 |
| InChIKey | WOMKDMUZNBFXKG-XAWKZAOJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus flavus (ncbitaxon:5059) | - | PubMed (4629903) | |
| Chaetomium globosum (ncbitaxon:38033) | - | PubMed (17125234) |
| Roles Classification |
|---|
| Biological Roles: | antiplasmodial drug An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . Chaetomium metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium. |
| Application: | antiplasmodial drug An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| asperentin (CHEBI:68792) has role Aspergillus metabolite (CHEBI:76956) |
| asperentin (CHEBI:68792) has role Chaetomium metabolite (CHEBI:76960) |
| asperentin (CHEBI:68792) has role antifungal agent (CHEBI:35718) |
| asperentin (CHEBI:68792) has role antiplasmodial drug (CHEBI:64915) |
| asperentin (CHEBI:68792) is a isocoumarins (CHEBI:38758) |
| asperentin (CHEBI:68792) is a pyrans (CHEBI:26407) |
| asperentin (CHEBI:68792) is a resorcinols (CHEBI:33572) |
| Incoming Relation(s) |
| 5'-hydroxy-asperentin-8-O-methylether (CHEBI:68702) has functional parent asperentin (CHEBI:68792) |
| 5'-hydroxyasperentin (CHEBI:68704) has functional parent asperentin (CHEBI:68792) |
| asperentin-8-methyl ether (CHEBI:68703) has functional parent asperentin (CHEBI:68792) |
| IUPAC Name |
|---|
| 6,8-dihydroxy-3-{[(2R,6S)-6-methyltetrahydro-2H-pyran-2-yl]methyl}-3,4-dihydro-1H-isochromen-1-one |
| Synonyms | Source |
|---|---|
| 3,4-dihydro-6,8-dihydroxy-3-(tetrahydro-6-methyl-H-pyran-2-yl)methylisocoumarin | ChemIDplus |
| cladosporin | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 34206 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5086911 | Reaxys |
| CAS:35818-31-6 | ChemIDplus |
| Citations |
|---|