Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033504
PROPERTIES
| NPAID | NPA033504 |
|---|---|
| CLUSTER ID | 1057 |
| NODE ID | 910 |
| NAME | 21R-citrinadin A |
| FORMULA | C35H52N4O6 |
| MOLECULAR WEIGHT (Da) | 624.8230 |
| ACCURATE MASS (Da) | 624.3887 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | citrinum ATCC 9849 |
| InChIKey | BERMVHWKOOMCMF-AVGRWZFCSA-N |
| InChI | InChI=1S/C35H52N4O6/c1-19(2)26(38(9)10)29(41)44-22-14-20(3)39-18-33(36-8)17-34(32(6,7)35(33,43)16-21(39)15-22)24-13-11-12-23(25(24)37-30(34)42)27(40)28-31(4,5)45-28/h11-13,19-22,26,28,36,43H,14-18H2,1-10H3,(H,37,42)/t20-,21+,22+,26-,28+,33+,34-,35-/m0/s1 |
| SMILES | CN[C@]12CN3[C@H](C[C@H](OC(=O)[C@H](C(C)C)N(C)C)C[C@@H]3C)C[C@]1(O)C(C)(C)[C@]1(C2)C(=O)NC2=C(C(=O)[C@H]3OC3(C)C)C=CC=C21 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu, Zhiwen; Zhao, Fanglong; Zhao, Boyang; Yang, Jie; Ferrara, Joseph; Sankaran, Banumathi; Venkataram Prasad; Kundu, Biki Bapi; Phillips, George N.; Gao, Yang; Hu, Liya; Zhu, Tong; Gao, Xue Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins Nature Communications 2021 12 (1) 4158. | ||
|---|---|---|---|
| DOI | 10.1038/s41467-021-24421-0 | PMID | 34230497 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CN[C@]12CN3[C@@H](C)C[C@@H](OC(=O)[C@@H](C(C)C)N(C)C)C[C@@H]3C[C@]1(O)C(C)(C)[C@]1(C2)C(=O)NC2=C(C(=O)[C@@H]3OC3(C)C)C=CC=C21 | Liu, Zhiwen; Zhao, Fanglong; Zhao, Boyang; Yang, Jie; Ferrara, Joseph; Sankaran, Banumathi; Venkataram Prasad; Kundu, Biki Bapi; Phillips, George N.; Gao, Yang; Hu, Liya; Zhu, Tong; Gao, Xue Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins Nature Communications 2021 12 (1) 4158. DOI: 10.1038/s41467-021-24421-0 PMID: 34230497 | ||
| 2 | CN[C@]12CN3[C@H](C[C@H](OC(=O)[C@H](C(C)C)N(C)C)C[C@@H]3C)C[C@]1(O)C(C)(C)[C@]1(C2)C(=O)NC2=C(C(=O)[C@H]3OC3(C)C)C=CC=C21 | Bian Z; Marvin CC; Martin SF Enantioselective total synthesis of (-)-citrinadin A and revision of its stereochemical structure. Journal of the American Chemical Society 2013 135 (30) 10886-9. DOI: 10.1021/ja405547f PMID: 23837457 | ||
