Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014844
PROPERTIES
| NPAID | NPA014844 |
|---|---|
| CLUSTER ID | 4312 |
| NODE ID | 3178 |
| NAME | Plectosphaeroic acid C |
| FORMULA | C37H26N6O10S3 |
| MOLECULAR WEIGHT (Da) | 810.8480 |
| ACCURATE MASS (Da) | 810.0873 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Plectosphaerella |
| ORIGIN SPECIES | cucumerina |
| InChIKey | XOHSXHXUGXCMGR-KEGJJBSFSA-N |
| InChI | InChI=1S/C37H26N6O10S3/c1-41-34(52)37-31(50)36(17-13-39-18-8-4-2-6-15(17)18)16-7-3-5-9-19(16)42(32(36)43(37)33(51)35(41,14-44)54-56-55-37)20-10-11-22-27(24(20)29(46)47)40-28-23(53-22)12-21(45)26(38)25(28)30(48)49/h2-13,31-32,39,44,50H,14,38H2,1H3,(H,46,47)(H,48,49)/t31-,32+,35-,36+,37-/m0/s1 |
| SMILES | CN1C(=O)[C@@]23[C@H]([C@]4([C@@H](N2C(=O)[C@@]1(SSS3)CO)N(C5=CC=CC=C54)C6=C(C7=C(C=C6)OC8=CC(=O)C(=C(C8=N7)C(=O)O)N)C(=O)O)C9=CNC1=CC=CC=C19)O |
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 |
