Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003299
PROPERTIES
| NPAID | NPA003299 |
|---|---|
| CLUSTER ID | 1851 |
| NODE ID | 650 |
| NAME | 1-methoxy-5R,10S-agroclavine |
| FORMULA | C17H20N2O |
| MOLECULAR WEIGHT (Da) | 268.3600 |
| ACCURATE MASS (Da) | 268.1576 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. WC75209 |
| InChIKey | OZXRMPYHEDZXHW-GOEBONIOSA-N |
| InChI | InChI=1S/C17H20N2O/c1-11-7-14-13-5-4-6-15-17(13)12(10-19(15)20-3)8-16(14)18(2)9-11/h4-7,10,14,16H,8-9H2,1-3H3/t14-,16+/m0/s1 |
| SMILES | CC1=C[C@@H]2[C@@H](CC3=CN(C4=CC=CC2=C34)OC)N(C1)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Padmanabha, R; Shu, Y Z; Cook, L S; Veitch, J A; Donovan, M; Lowe, S; Huang, S; Pirnik, D; Manly, S P 1-Methoxy-agroclavine from Penicillium sp. WC75209, a novel inhibitor of the Lck tyrosine kinase Bioorganic and Medicinal Chemistry Letters 1998 8 (6) 569-574. | ||
|---|---|---|---|
| DOI | 10.1016/s0960-894x(98)00072-9 | PMID | 9871562 |
