Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024608
PROPERTIES
| NPAID | NPA024608 |
|---|---|
| CLUSTER ID | 7525 |
| NODE ID | 96 |
| NAME | Omphalotin |
| FORMULA | C69H115N13O12 |
| MOLECULAR WEIGHT (Da) | 1318.7580 |
| ACCURATE MASS (Da) | 1317.8788 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Omphalotus |
| ORIGIN SPECIES | olearius |
| InChIKey | RPRXGEAIZUOLRT-SNXGSGAFSA-N |
| InChI | InChI=1S/C69H115N13O12/c1-26-43(14)54-64(89)79(22)58(42(12)13)69(94)80(23)56(40(8)9)65(90)76(19)37-52(85)77(20)57(41(10)11)68(93)82(25)60(45(16)28-3)67(92)75(18)36-51(84)72-53(38(4)5)63(88)81(24)59(44(15)27-2)66(91)74(17)35-50(83)71-49(33-46-34-70-48-32-30-29-31-47(46)48)62(87)78(21)55(39(6)7)61(86)73-54/h29-32,34,38-45,49,53-60,70H,26-28,33,35-37H2,1-25H3,(H,71,83)(H,72,84)(H,73,86)/t43-,44-,45-,49-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)N(CC(=O)N([C@H](C(=O)N([C@H](C(=O)N(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N1)C(C)C)C)CC2=CNC3=CC=CC=C32)C)[C@@H](C)CC)C)C(C)C)C)[C@@H](C)CC)C)C(C)C)C)C)C(C)C)C)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | A. Mayer , H. Anke & O. Sterner Omphalotin, A New Cyclic Peptide with Potent Nematicidal Activity from Omphalotus Olearius I. Fermentation and Biological Activity Natural Product Letters 1997 10 (1) 25-32. | ||
|---|---|---|---|
| DOI | 10.1080/10575639708043691 | PMID | - |
SYNTHESES
| CITATION 1 | Thern B; Rudolph J; Jung G Total synthesis of the nematicidal cyclododecapeptide omphalotin A by using racemization-free triphosgene-mediated couplings in the solid phase. Angewandte Chemie International Edition 2002 41 (13) 2307-9. DOI: 10.1002/1521-3773(20020703)41:13<2307::AID-ANIE2307>3.0.CO;2-Y PMID: 12203574 | ||
|---|---|---|---|
