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CHEBI:66306 - rhuscholide A
| Formula | C31H42O3 |
| Net Charge | 0 |
| Average Mass | 462.674 |
| Monoisotopic Mass | 462.31340 |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc2c1OC(=O)C2=C(C)C |
| InChI | InChI=1S/C31H42O3/c1-21(2)11-8-12-23(5)13-9-14-24(6)15-10-16-25(7)17-18-26-19-27(32)20-28-29(22(3)4)31(33)34-30(26)28/h11,13,15,17,19-20,32H,8-10,12,14,16,18H2,1-7H3/b23-13+,24-15+,25-17+ |
| InChIKey | LPJLAXYRFCLYIG-HBKYZHKXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rhus chinensis (ncbitaxon:289753) | stem (BTO:0001300) | PubMed (17290322) |
| Roles Classification |
|---|
| Biological Roles: | anti-HIV-1 agent An anti-HIV agent that destroys or inhibits the replication of HIV-1, the more infective and more virulent of the two types of HIV virus. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| rhuscholide A (CHEBI:66306) has role anti-HIV-1 agent (CHEBI:64947) |
| rhuscholide A (CHEBI:66306) has role metabolite (CHEBI:25212) |
| rhuscholide A (CHEBI:66306) is a 1-benzofurans (CHEBI:38830) |
| rhuscholide A (CHEBI:66306) is a phenols (CHEBI:33853) |
| rhuscholide A (CHEBI:66306) is a γ-lactone (CHEBI:37581) |
| IUPAC Name |
|---|
| 5-hydroxy-3-(propan-2-ylidene)-7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-1-benzofuran-2(3H)-one |
| Synonym | Source |
|---|---|
| 5-hydroxy-3-(propan-2-ylidene)-7-[3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-2(3H)-benzofuranone | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| CN1995028 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:11183086 | Reaxys |
| Citations |
|---|