EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:133760 - aurasperone A
| Formula | C32H26O10 |
| Net Charge | 0 |
| Average Mass | 570.550 |
| Monoisotopic Mass | 570.15260 |
| SMILES | COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc5oc(C)cc(=O)c5c(O)c4c3OC)c2c1 |
| InChI | InChI=1S/C32H26O10/c1-13-7-18(33)26-22(41-13)10-15-9-20(38-4)28(31(40-6)23(15)29(26)35)25-17-11-16(37-3)12-21(39-5)24(17)30(36)27-19(34)8-14(2)42-32(25)27/h7-12,35-36H,1-6H3 |
| InChIKey | QAHRSPAZSGMZMT-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus aculeatus (ncbitaxon:5053) | - | PubMed (16155971) | |
| Aspergillus fumigatus (ncbitaxon:746128) | - | PubMed (32575731) | |
| Aspergillus niger (ncbitaxon:5061) | |||
| - | PubMed (33301916) | Strain: 58 | |
| - | PubMed (32670208) | Strain: JSC-093350089 | |
| Aspergillus niger ATCC 1015 (ncbitaxon:380704) | - | PubMed (21176790) | Strain: ATCC 11414 |
| Aspergillus welwitschiae (ncbitaxon:1341132) | - | PubMed (32666830) | Strain: CUGBMF180262 |
| Roles Classification |
|---|
| Biological Roles: | Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| Application: | antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| aurasperone A (CHEBI:133760) has role Aspergillus metabolite (CHEBI:76956) |
| aurasperone A (CHEBI:133760) has role antimalarial (CHEBI:38068) |
| aurasperone A (CHEBI:133760) has role marine metabolite (CHEBI:76507) |
| aurasperone A (CHEBI:133760) is a aromatic ether (CHEBI:35618) |
| aurasperone A (CHEBI:133760) is a aromatic ketone (CHEBI:76224) |
| aurasperone A (CHEBI:133760) is a biaryl (CHEBI:64459) |
| aurasperone A (CHEBI:133760) is a cyclic ketone (CHEBI:3992) |
| aurasperone A (CHEBI:133760) is a naphtho-γ-pyrone (CHEBI:64542) |
| aurasperone A (CHEBI:133760) is a organooxygen heterocyclic antibiotic (CHEBI:25807) |
| aurasperone A (CHEBI:133760) is a polyphenol (CHEBI:26195) |
| aurasperone A (CHEBI:133760) is conjugate acid of aurasperone A(2−) (CHEBI:146001) |
| Incoming Relation(s) |
| aurasperone A(2−) (CHEBI:146001) is conjugate base of aurasperone A (CHEBI:133760) |
| IUPAC Name |
|---|
| 5,5'-dihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-4H,4'H-[7,10'-bibenzo[g]chromene]-4,4'-dione |
| Synonyms | Source |
|---|---|
| 5,5'-dihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-4H,4'H-[7,10'-binaphtho[2,3-b]pyran]-4,4'-dione | IUPAC |
| Aurasperone | ChemIDplus |
| Aurosperone A | SUBMITTER |
| Manual Xrefs | Databases |
|---|---|
| 2341316 | ChemSpider |
| C00034441 | KNApSAcK |
| FDB012130 | FooDB |
| HMDB0033929 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1445869 | Reaxys |
| CAS:15085-74-2 | ChemIDplus |
| Citations |
|---|