Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033180
PROPERTIES
| NPAID | NPA033180 |
|---|---|
| CLUSTER ID | 3448 |
| NODE ID | 2606 |
| NAME | Hancockiamide B |
| FORMULA | C31H34N2O5 |
| MOLECULAR WEIGHT (Da) | 514.6220 |
| ACCURATE MASS (Da) | 514.2468 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | hancockii |
| InChIKey | OMTJOJRPQJQFEV-HHJSHYQQSA-N |
| InChI | InChI=1S/C31H34N2O5/c1-22(34)32-20-27(17-25-18-28(37-2)31(36)29(19-25)38-3)33(21-26(32)16-24-12-8-5-9-13-24)30(35)15-14-23-10-6-4-7-11-23/h4-15,18-19,26-27,36H,16-17,20-21H2,1-3H3/b15-14+/t26-,27-/m0/s1 |
| SMILES | COC1=CC(C[C@H]2CN(C(C)=O)[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 |
