Compounds
COMPOUND NPA004443
PROPERTIES
NPAID | NPA004443 |
---|---|
CLUSTER ID | 392 |
NODE ID | 353 |
NAME | α-ergocryptine |
FORMULA | C32H41N5O5 |
MOLECULAR WEIGHT (Da) | 575.7100 |
ACCURATE MASS (Da) | 575.3108 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Claviceps |
ORIGIN SPECIES | zizaniae CCM 8240 |
InChIKey | YDOTUXAWKBPQJW-NSLWYYNWSA-N |
InChI | InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1 |
SMILES | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Kantorova, Michaela; Kolinska, Renata; Pazoutova, Sylvie; Honzatko, Ales; Havlicek, Vladimir; Flieger, Miroslav Ergot alkaloids produced by submerged cultures of Claviceps zizaniae Journal of Natural Products 2002 65 (7) 1039-1040. | ||
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DOI | 10.1021/np010639w | PMID | 12141870 |