Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027766
PROPERTIES
| NPAID | NPA027766 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Laxaphycin A2 |
| FORMULA | C59H95N11O14 |
| MOLECULAR WEIGHT (Da) | 1182.4720 |
| ACCURATE MASS (Da) | 1181.7060 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Hormothamnion |
| ORIGIN SPECIES | enteromorphoides |
| InChIKey | IMWMAZYOIVRRPT-OBCLSNTFSA-N |
| InChI | InChI=1S/C59H95N11O14/c1-11-14-16-21-38-29-47(74)62-41(22-24-71)52(77)63-40(13-3)59(84)70-32-39(73)30-46(70)56(81)64-42(23-25-72)53(78)66-45(28-37-19-17-15-18-20-37)54(79)65-44(27-34(6)7)55(80)68-49(35(8)9)57(82)69-50(36(10)12-2)58(83)67-43(26-33(4)5)51(76)60-31-48(75)61-38/h13,15,17-20,33-36,38-39,41-46,49-50,71-73H,11-12,14,16,21-32H2,1-10H3,(H,60,76)(H,61,75)(H,62,74)(H,63,77)(H,64,81)(H,65,79)(H,66,78)(H,67,83)(H,68,80)(H,69,82)/b40-13+/t36-,38+,39+,41-,42-,43-,44+,45+,46-,49-,50+/m0/s1 |
| SMILES | C/C=C1/NC(=O)[C@H](CCO)NC(=O)C[C@@H](CCCCC)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCO)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cai, Weijing; Matthew, Susan; Chen, Qi-Yin; Paul, Valerie J.; Luesch, Hendrik Discovery of new A- and B-type laxaphycins with synergistic anticancer activity Bioorganic and Medicinal Chemistry 2018 26 (9) 2310-2319. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmc.2018.03.022 | PMID | 29606488 |
