Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015071
PROPERTIES
| NPAID | NPA015071 |
|---|---|
| CLUSTER ID | 4312 |
| NODE ID | 3178 |
| NAME | Plectosphaeroic acid A |
| FORMULA | C39H32N6O10S2 |
| MOLECULAR WEIGHT (Da) | 808.8510 |
| ACCURATE MASS (Da) | 808.1621 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Plectosphaerella |
| ORIGIN SPECIES | cucumerina |
| InChIKey | QGERAYAMQHFSHY-IXHQRXDZSA-N |
| InChI | InChI=1S/C39H32N6O10S2/c1-43-36(54)39(57-3)33(52)38(19-15-41-20-10-6-4-8-17(19)20)18-9-5-7-11-21(18)44(34(38)45(39)35(53)37(43,16-46)56-2)22-12-13-24-29(26(22)31(48)49)42-30-25(55-24)14-23(47)28(40)27(30)32(50)51/h4-15,33-34,41,46,52H,16,40H2,1-3H3,(H,48,49)(H,50,51)/t33-,34+,37-,38+,39-/m0/s1 |
| SMILES | CN1C(=O)[C@]2([C@H]([C@]3([C@@H](N2C(=O)[C@]1(CO)SC)N(C4=CC=CC=C43)C5=C(C6=C(C=C5)OC7=CC(=O)C(=C(C7=N6)C(=O)O)N)C(=O)O)C8=CNC9=CC=CC=C98)O)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 |
