Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001688
PROPERTIES
| NPAID | NPA001688 |
|---|---|
| CLUSTER ID | 1081 |
| NODE ID | 930 |
| NAME | Communesin I |
| FORMULA | C33H42N4O3 |
| MOLECULAR WEIGHT (Da) | 542.7240 |
| ACCURATE MASS (Da) | 542.3257 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | expansum Y32 |
| InChIKey | COSCMJYSYBZWIO-STNQXKNUSA-N |
| InChI | InChI=1S/C33H42N4O3/c1-6-10-20(38)19-25(39)36-18-16-33-22-12-7-8-13-23(22)34-29-32(33)15-17-37(31(33,36)4)27(28-30(2,3)40-28)21-11-9-14-24(26(21)32)35(29)5/h7-9,11-14,20,27-29,34,38H,6,10,15-19H2,1-5H3/t20-,27+,28-,29-,31+,32-,33?/m1/s1 |
| SMILES | CCC[C@@H](O)CC(=O)N1CCC23C4=CC=CC=C4N[C@@H]4N(C)C5=CC=CC6=C5[C@]42CCN([C@@H]6[C@H]2OC2(C)C)[C@]13C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fan, Ya-Qin; Li, Pei-Hai; Chao, Ya-Xi; Chen, Hao; Du, Ning; He, Qiu-Xia; Liu, Ke-Chun Alkaloids with cardiovascular effects from the marine-derived fungus Penicillium expansum Y32 Marine Drugs 2015 13 (10) 6489-6504. | ||
|---|---|---|---|
| DOI | 10.3390/md13106489 | PMID | 26506361 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCC[C@@H](CC(=O)N1CC[C@]23[C@H]1N4CC[C@]25[C@H](NC6=CC=CC=C36)N(C7=CC=CC(=C57)[C@H]4[C@@H]8C(O8)(C)C)C)O | Fan, Ya-Qin; Li, Pei-Hai; Chao, Ya-Xi; Chen, Hao; Du, Ning; He, Qiu-Xia; Liu, Ke-Chun Alkaloids with cardiovascular effects from the marine-derived fungus Penicillium expansum Y32 Marine Drugs 2015 13 (10) 6489-6504. DOI: 10.3390/md13106489 PMID: 26506361 | ||
| 2 | CCC[C@@H](O)CC(=O)N1CCC23C4=CC=CC=C4N[C@@H]4N(C)C5=CC=CC6=C5[C@]42CCN([C@@H]6[C@H]2OC2(C)C)[C@]13C | Pompeo, Matthew M; Cheah, Jaime H; Movassaghi, Mohammad Total Synthesis and Anti-Cancer Activity of All Known Communesin Alkaloids and Related Derivatives. Journal of the American Chemical Society 2019 141 (36) 14411-14420. DOI: 10.1021/jacs.9b07397 PMID: 31422662 | ||
