Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004998
PROPERTIES
| NPAID | NPA004998 |
|---|---|
| CLUSTER ID | 394 |
| NODE ID | 11 |
| NAME | Spiroquinazoline |
| FORMULA | C23H19N5O3 |
| MOLECULAR WEIGHT (Da) | 413.4370 |
| ACCURATE MASS (Da) | 413.1488 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | flavipes |
| InChIKey | SIIMITFGYHVBGG-FGSBKAERSA-N |
| InChI | InChI=1S/C23H19N5O3/c1-22-20-25-14-8-4-2-6-12(14)19(31)28(20)16(18(30)26-22)10-23(22)13-7-3-5-9-15(13)27-17(29)11-24-21(23)27/h2-9,16,21,24H,10-11H2,1H3,(H,26,30)/t16-,21+,22+,23+/m1/s1 |
| SMILES | C[C@]12C3=NC4=CC=CC=C4C(=O)N3[C@H](C[C@]15[C@H]6NCC(=O)N6C7=CC=CC=C57)C(=O)N2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Barrow, Colin J.; Sun, Hao H. Spiroquinazoline, a Novel Substance P Inhibitor with a New Carbon Skeleton, Isolated from Aspergillus flavipes Journal of Natural Products 1994 57 (4) 471-476. | ||
|---|---|---|---|
| DOI | 10.1021/np50106a005 | PMID | 7517439 |
