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CHEBI:68860 - arugosin C
| Formula | C25H28O6 |
| Net Charge | 0 |
| Average Mass | 424.493 |
| Monoisotopic Mass | 424.18859 |
| SMILES | CC(C)=CCc1ccc2c(c1O)C(=O)c1c(O)cc(C)c3c1C(O2)C(C(C)(C)O)CO3 |
| InChI | InChI=1S/C25H28O6/c1-12(2)6-7-14-8-9-17-19(21(14)27)22(28)18-16(26)10-13(3)23-20(18)24(31-17)15(11-30-23)25(4,5)29/h6,8-10,15,24,26-27,29H,7,11H2,1-5H3 |
| InChIKey | MYJGUMZTENHAAQ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus (ncbitaxon:5052) | - | PubMed (22026385) |
| Roles Classification |
|---|
| Biological Roles: | Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . hepatitis C protease inhibitor An inhibitor of hepatitis C protease, an enzyme required for production of proteins needed for viral assembly. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| arugosin C (CHEBI:68860) has role Aspergillus metabolite (CHEBI:76956) |
| arugosin C (CHEBI:68860) has role hepatitis C protease inhibitor (CHEBI:64924) |
| arugosin C (CHEBI:68860) is a cyclic ether (CHEBI:37407) |
| arugosin C (CHEBI:68860) is a cyclic ketone (CHEBI:3992) |
| arugosin C (CHEBI:68860) is a organic heterotetracyclic compound (CHEBI:38163) |
| arugosin C (CHEBI:68860) is a polyphenol (CHEBI:26195) |
| arugosin C (CHEBI:68860) is a tertiary alcohol (CHEBI:26878) |
| IUPAC Name |
|---|
| 6,8-dihydroxy-1-(2-hydroxypropan-2-yl)-4-methyl-9-(3-methylbut-2-en-1-yl)-1,12a-dihydrochromeno[4,5-bc][1]benzoxepin-7(2H)-one |
| Synonym | Source |
|---|---|
| 1,12a-dihydro-6,8-dihydroxy-1-(1-hydroxy-1-methylethyl)-4-methyl-9-(3-methylbut-2-enyl)(1)benzopyrano(4,5-bc)(1)benzoxepin-7(2H)-one | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1606432 | Reaxys |
| CAS:50875-10-0 | ChemIDplus |
| Citations |
|---|