Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022155
PROPERTIES
| NPAID | NPA022155 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Octaminomycin B |
| FORMULA | C52H74N8O11 |
| MOLECULAR WEIGHT (Da) | 987.2090 |
| ACCURATE MASS (Da) | 986.5477 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. RK85-270 |
| InChIKey | QNCHOWGBHYLWIC-QKHVFFOHSA-N |
| InChI | InChI=1S/C52H74N8O11/c1-29(2)25-37-46(64)57-43(31(5)6)51(69)59-23-13-17-40(59)47(65)56-39(26-30(3)4)49(67)58(9)42(28-35-19-21-36(62)22-20-35)50(68)60-24-14-18-41(60)52(70)71-32(7)44(53-33(8)61)48(66)55-38(45(63)54-37)27-34-15-11-10-12-16-34/h10-12,15-16,19-22,29-32,37-44,62H,13-14,17-18,23-28H2,1-9H3,(H,53,61)(H,54,63)(H,55,66)(H,56,65)(H,57,64)/t32-,37-,38+,39+,40+,41+,42+,43+,44+/m1/s1 |
| SMILES | C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N([C@H](C(=O)N3CCC[C@H]3C(=O)O1)CC4=CC=C(C=C4)O)C)CC(C)C)C(C)C)CC(C)C)CC5=CC=CC=C5)NC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jang, Jun-Pil; Nogawa, Toshihiko; Futamura, Yushi; Shimizu, Takeshi; Hashizume, Daisuke; Takahashi, Shunji; Jang, Jae-Hyuk; Ahn, Jong Seog; Osada, Hiroyuki Octaminomycins A and B, cyclic octadepsipeptides active against Plasmodium falciparum Journal of Natural Products 2017 80 (1) 134-140. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.6b00758 | PMID | 28055207 |
