Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033179
PROPERTIES
| NPAID | NPA033179 |
|---|---|
| CLUSTER ID | 3448 |
| NODE ID | 2606 |
| NAME | Hancockiamide A |
| FORMULA | C29H32N2O4 |
| MOLECULAR WEIGHT (Da) | 472.5850 |
| ACCURATE MASS (Da) | 472.2362 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | hancockii |
| InChIKey | JRBUGAHICHRVSG-NGOZIHSBSA-N |
| InChI | InChI=1S/C29H32N2O4/c1-34-26-17-23(18-27(35-2)29(26)33)16-25-19-30-24(15-22-11-7-4-8-12-22)20-31(25)28(32)14-13-21-9-5-3-6-10-21/h3-14,17-18,24-25,30,33H,15-16,19-20H2,1-2H3/b14-13+/t24-,25-/m0/s1 |
| SMILES | COC1=CC(C[C@H]2CN[C@@H](CC3=CC=CC=C3)CN2C(=O)/C=C/C2=CC=CC=C2)=CC(OC)=C1O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Hang; Lacey, Alastair E; Shu, Si; Kalaitzis, John A; Vuong, Daniel; Crombie, Andrew; Hu, Jinyu; Gilchrist, Cameron L M; Lacey, Ernest; Piggott, Andrew M; Chooi, Yit-Heng Hancockiamides: phenylpropanoid piperazines from Aspergillus hancockii are biosynthesised by a versatile dual single-module NRPS pathway. Organic & Biomolecular Chemistry 2021 19 (3) 587-595. | ||
|---|---|---|---|
| DOI | 10.1039/d0ob02243h | PMID | 33242032 |
