Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006737
PROPERTIES
| NPAID | NPA006737 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Unguisin A |
| FORMULA | C40H54N8O7 |
| MOLECULAR WEIGHT (Da) | 758.9210 |
| ACCURATE MASS (Da) | 758.4115 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Emericella |
| ORIGIN SPECIES | unguis |
| InChIKey | JLLVQPKAQVOYFS-KVOZXUITSA-N |
| InChI | InChI=1S/C40H54N8O7/c1-22(2)33-39(54)44-25(6)35(50)45-31(20-27-21-42-29-16-11-10-15-28(27)29)37(52)41-18-12-17-32(49)43-24(5)36(51)47-34(23(3)4)40(55)46-30(38(53)48-33)19-26-13-8-7-9-14-26/h7-11,13-16,21-25,30-31,33-34,42H,12,17-20H2,1-6H3,(H,41,52)(H,43,49)(H,44,54)(H,45,50)(H,46,55)(H,47,51)(H,48,53)/t24-,25-,30+,31-,33-,34-/m1/s1 |
| SMILES | C[C@@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCCCC(=O)N1)CC2=CNC3=CC=CC=C32)C)C(C)C)CC4=CC=CC=C4)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Malmstrom, Joan Unguisins A and B: New cyclic peptides from the marine-derived fungus Emericella unguis Journal of Natural Products 1999 62 (5) 787-789. | ||
|---|---|---|---|
| DOI | 10.1021/np980539z | PMID | 10346973 |
SYNTHESES
| CITATION 1 | Hunter L; Chung JH Total synthesis of unguisin A. Journal of Organic Chemistry 2011 76 (13) 5502-5505. DOI: 10.1021/jo200813a PMID: 21612288 | ||
|---|---|---|---|
