Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000622
PROPERTIES
| NPAID | NPA000622 |
|---|---|
| CLUSTER ID | 460 |
| NODE ID | 415 |
| NAME | Deschloro 12-epi-fischerindole W nitrile |
| FORMULA | C21H20N2 |
| MOLECULAR WEIGHT (Da) | 300.4050 |
| ACCURATE MASS (Da) | 300.1626 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Fischerella |
| ORIGIN SPECIES | sp. |
| InChIKey | HPSQXIAQMGSXFU-HRAATJIYSA-N |
| InChI | InChI=1S/C21H20N2/c1-4-21(3)10-9-14-13(2)11-18-20(19(14)16(21)12-22)15-7-5-6-8-17(15)23-18/h4-8,11,16,23H,1,9-10H2,2-3H3/t16-,21+/m0/s1 |
| SMILES | C=C[C@]1(C)CCC2=C(C3=C(C=C2C)NC2=CC=CC=C23)[C@@H]1C#N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kim, Hyunjung; Krunic, Aleksej; Lantvit, Daniel; Shen, Qi; Kroll, David J.; Swanson, Steven M.; Orjala, Jimmy Nitrile-containing fischerindoles from the cultured cyanobacterium Fischerella sp Tetrahedron 2012 68 (15) 3205-3209. | ||
|---|---|---|---|
| DOI | 10.1016/j.tet.2012.02.048 | PMID | 22470225 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC1=C2C(=C3[C@@H]([C@](CCC3=C1)(C)C=C)C#N)C4=CC=CC=C4N2 | Kim, Hyunjung; Krunic, Aleksej; Lantvit, Daniel; Shen, Qi; Kroll, David J.; Swanson, Steven M.; Orjala, Jimmy Nitrile-containing fischerindoles from the cultured cyanobacterium Fischerella sp Tetrahedron 2012 68 (15) 3205-3209. DOI: 10.1016/j.tet.2012.02.048 PMID: 22470225 | ||
| 2 | C=C[C@]1(C)CCC2=C(C3=C(C=C2C)NC2=CC=CC=C23)[C@@H]1C#N | Lu, Zhaohong; Yang, Ming; Chen, Pengxi; Xiong, Xiaochun; Li, Ang Total synthesis of hapalindole-type natural products. Angewandte Chemie International Edition 2014 53 (50) 13840-4. DOI: 10.1002/anie.201406626 PMID: 25303730 | ||
