Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010992
PROPERTIES
| NPAID | NPA010992 |
|---|---|
| CLUSTER ID | 4312 |
| NODE ID | 3178 |
| NAME | Plectosphaeroic acid B |
| FORMULA | C39H32N6O9S2 |
| MOLECULAR WEIGHT (Da) | 792.8520 |
| ACCURATE MASS (Da) | 792.1672 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Plectosphaerella |
| ORIGIN SPECIES | cucumerina |
| InChIKey | JAFMWNYBHBAYHM-IXHQRXDZSA-N |
| InChI | InChI=1S/C39H32N6O9S2/c1-37(55-3)35(52)45-34-38(19-16-41-20-11-7-5-9-17(19)20,33(51)39(45,56-4)36(53)43(37)2)18-10-6-8-12-21(18)44(34)22-13-14-24-29(26(22)31(47)48)42-30-25(54-24)15-23(46)28(40)27(30)32(49)50/h5-16,33-34,41,51H,40H2,1-4H3,(H,47,48)(H,49,50)/t33-,34+,37-,38+,39-/m0/s1 |
| SMILES | C[C@@]1(C(=O)N2[C@@H]3[C@]([C@@H]([C@@]2(C(=O)N1C)SC)O)(C4=CC=CC=C4N3C5=C(C6=C(C=C5)OC7=CC(=O)C(=C(C7=N6)C(=O)O)N)C(=O)O)C8=CNC9=CC=CC=C98)SC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Carr, Gavin; Tay, Wendy; Bottriell, Helen; Andersen, Sarah K; Mauk, A Grant; Andersen, Raymond J Plectosphaeroic acids A, B, and C, indoleamine 2,3-dioxygenase inhibitors produced in culture by a marine isolate of the fungus Plectosphaerella cucumerina Organic Letters 2009 11 (14) 2996-2999. | ||
|---|---|---|---|
| DOI | 10.1021/ol900972j | PMID | 19537768 |
SYNTHESES
| CITATION 1 | Jabri SY; Overman LE Enantioselective total synthesis of plectosphaeroic acid B. Journal of the American Chemical Society 2013 135 (11) 4231-4. DOI: 10.1021/ja401423j PMID: 23452064 | ||
|---|---|---|---|
