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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: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. 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. |
| 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 |
|---|