Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011117
PROPERTIES
| NPAID | NPA011117 |
|---|---|
| CLUSTER ID | 3106 |
| NODE ID | 2371 |
| NAME | Stictamide B |
| FORMULA | C36H46N6O8 |
| MOLECULAR WEIGHT (Da) | 690.7980 |
| ACCURATE MASS (Da) | 690.3377 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Sticta |
| ORIGIN SPECIES | sp. |
| InChIKey | ORWSPLPFCCECQV-BHSUFKTOSA-N |
| InChI | InChI=1S/C36H46N6O8/c37-36(38)39-19-5-9-28(40-32(46)10-4-8-23-11-15-26(43)16-12-23)34(48)42-29(20-24-6-2-1-3-7-24)31(45)22-33(47)41-30(35(49)50)21-25-13-17-27(44)18-14-25/h1-3,6-7,11-18,28-31,43-45H,4-5,8-10,19-22H2,(H,40,46)(H,41,47)(H,42,48)(H,49,50)(H4,37,38,39)/t28-,29+,30+,31+/m1/s1 |
| SMILES | C1=CC=C(C=C1)C[C@@H]([C@H](CC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCC3=CC=C(C=C3)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liang, Zhibin; Sorribas, Analia; Sulzmaier, Florian J.; Jimenez, Jorge I.; Wang, Xin; Sauvage, Thomas; Yoshida, Wesley Y.; Wang, Guangyi; Ramos, Joe W.; Williams, Philip G. Stictamides A-C, MMP12 inhibitors containing 4-amino-3-hydroxy-5- phenylpentanoic acid subunits Journal of Organic Chemistry 2011 76 (10) 3635-3643. | ||
|---|---|---|---|
| DOI | 10.1021/jo200241h | PMID | 21500817 |
