Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015308
PROPERTIES
| NPAID | NPA015308 |
|---|---|
| CLUSTER ID | 3304 |
| NODE ID | 2504 |
| NAME | Penicitide A |
| FORMULA | C18H34O4 |
| MOLECULAR WEIGHT (Da) | 314.4660 |
| ACCURATE MASS (Da) | 314.2457 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | chrysogenum QEN-24 |
| InChIKey | ATWGXAMVMZHCKK-ZHCJQAHYSA-N |
| InChI | InChI=1S/C18H34O4/c1-13(10-14(2)8-9-15(3)19)6-4-5-7-17-11-16(20)12-18(21)22-17/h13-17,19-20H,4-12H2,1-3H3/t13-,14+,15-,16-,17-/m1/s1 |
| SMILES | C[C@H](CCCC[C@@H]1C[C@@H](O)CC(=O)O1)C[C@@H](C)CC[C@@H](C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gao, Shu-Shan; Li, Xiao-Ming; Du, Feng-Yu; Li, Chun-Shun; Proksch, Peter; Wang, Bin-Gui; Secondary Metabolites from a Marine-Derived Endophytic Fungus Penicillium chrysogenum QEN-24S Marine Drugs 2011 9 (1) 59-70. | ||
|---|---|---|---|
| DOI | 10.3390/md9010059 | PMID | 21339945 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C[C@H](CCC(C)CC(C)CCCC[C@H]1C[C@@H](CC(=O)O1)O)O | Gao, Shu-Shan; Li, Xiao-Ming; Du, Feng-Yu; Li, Chun-Shun; Proksch, Peter; Wang, Bin-Gui; Secondary Metabolites from a Marine-Derived Endophytic Fungus Penicillium chrysogenum QEN-24S Marine Drugs 2011 9 (1) 59-70. DOI: 10.3390/md9010059 PMID: 21339945 | ||
| 2 | C[C@H](CCCC[C@@H]1C[C@@H](O)CC(=O)O1)C[C@@H](C)CC[C@@H](C)O | Saha, Dhiman; Guchhait, Sandip; Goswami, Rajib Kumar Total Synthesis and Stereochemical Assignment of Penicitide A. Organic Letters 2020 22 (2) 745-749. DOI: 10.1021/acs.orglett.9b04585 PMID: 31904985 | ||
