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CHEBI:64695 - pyripyropene A
| Formula | C31H37NO10 |
| Net Charge | 0 |
| Average Mass | 583.634 |
| Monoisotopic Mass | 583.24175 |
| SMILES | [H][C@@]12C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@]3([H])[C@@]1(C)CC[C@H](OC(C)=O)[C@@]2(C)COC(C)=O |
| InChI | InChI=1S/C31H37NO10/c1-16(33)38-15-30(5)22-13-24(40-18(3)35)31(6)27(29(22,4)10-9-23(30)39-17(2)34)26(36)25-21(42-31)12-20(41-28(25)37)19-8-7-11-32-14-19/h7-8,11-12,14,22-24,26-27,36H,9-10,13,15H2,1-6H3/t22-,23+,24+,26+,27-,29+,30+,31-/m1/s1 |
| InChIKey | PMMQOFWSZRQWEV-RVTXXDJVSA-N |
| Roles Classification |
|---|
| Biological Roles: | acyl-CoA:cholesterol acyltransferase 2 inhibitor A sterol O-acyltransferase inhibitor that specifically inhibits acyl-CoA:cholesterol acyltransferase 2. 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) |
| pyripyropene A (CHEBI:64695) has role acyl-CoA:cholesterol acyltransferase 2 inhibitor (CHEBI:64697) |
| pyripyropene A (CHEBI:64695) has role metabolite (CHEBI:25212) |
| pyripyropene A (CHEBI:64695) is a organic heterotetracyclic compound (CHEBI:38163) |
| pyripyropene A (CHEBI:64695) is a sesquiterpenoid (CHEBI:26658) |
| IUPAC Name |
|---|
| (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-(acetoxymethyl)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromene-3,6-diyl diacetate |
| Manual Xrefs | Databases |
|---|---|
| US2012015410 | Patent |
| WO2011093185 | Patent |
| EP2319923 | Patent |
| KR20110038678 | Patent |
| WO2010010955 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7240649 | Reaxys |
| CAS:147444-03-9 | ChemIDplus |
| Citations |
|---|