Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000855255 | Gold | 1!CCMSLIB00000855257 |
| CCMSLIB00012131488 | Gold | 4 |
| CCMSLIB00012131489 | Gold | 4 |
| CCMSLIB00009971285 | Gold | 4 |
| CCMSLIB00009971286 | Gold | 4 |
COMPOUND NPA010436
PROPERTIES
| NPAID | NPA010436 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Protubonine A |
| FORMULA | C19H23N3O4 |
| MOLECULAR WEIGHT (Da) | 357.4100 |
| ACCURATE MASS (Da) | 357.1689 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. SF-5044 |
| InChIKey | IQSAULADRNRYOT-KNEBKQPDSA-N |
| InChI | InChI=1S/C19H23N3O4/c1-10(2)8-13-17(25)22-15(16(24)20-13)9-19(26)12-6-4-5-7-14(12)21(11(3)23)18(19)22/h4-7,10,13,15,18,26H,8-9H2,1-3H3,(H,20,24)/t13-,15-,18-,19+/m0/s1 |
| SMILES | CC(=O)N1C2=CC=CC=C2[C@]2(O)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3[C@H]12 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lee, Sang Un; Asami, Yukihiro; Lee, Dongho; Jang, Jae-Hyuk; Ahn, Jong Seog; Oh, Hyuncheol Protuboxepins A and B and protubonines A and B from the marine-derived fungus Aspergillus sp. SF-5044 Journal of Natural Products 2011 74 (5) 1284-1287. | ||
|---|---|---|---|
| DOI | 10.1021/np100880b | PMID | 21366228 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC(C)C[C@H]1C(=O)N2[C@H](C[C@@]3([C@H]2N(C4=CC=CC=C43)C(=O)C)O)C(=O)N1 | Lee, Sang Un; Asami, Yukihiro; Lee, Dongho; Jang, Jae-Hyuk; Ahn, Jong Seog; Oh, Hyuncheol Protuboxepins A and B and protubonines A and B from the marine-derived fungus Aspergillus sp. SF-5044 Journal of Natural Products 2011 74 (5) 1284-1287. DOI: 10.1021/np100880b PMID: 21366228 | ||
| 2 | CC(=O)N1C2=CC=CC=C2[C@]2(O)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3[C@H]12 | Lorenzo, Paula; Álvarez, Rosana; de Lera, Ángel R. Total Synthesis and Structural Revision of (–)‐Protubonine A and (–)‐Protubonine B. European Journal of Organic Chemistry 2014 2014 (12) 2557-2564. DOI: 10.1002/ejoc.201400029 | ||
