General Characteristics
| NatID | 1031 |
| Common Name | NatID_1031 |
| Molecular Formula | C19H27NO6 |
| Chemical Class | Macrolides and analogues |
| Molecular Weight | 365.184 g/mol |
| Other names |
Representations
| Smiles | C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O |
| Inchi | InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6?/t12-,15-,19-/m1/s1 |
| Inchi Key | HPDHKHMHQGCNPE-QESVCWQLSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.01 |
| TPSA | 93.14 |
| HBD | 1 |
| HBA | 7 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 26 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9159 | Senecio neaei var. incisus | No | Unknown | Pestchanker, M. J., Tonn, C. E., Rossomando, P. C., Giordano, O. S., & Guerreiro, E. (1996). Chemical Differences Between the NewSenecio hualtaranensisand the Closely RelatedS. Fabrisii. Sesquiterpenes and Pyrrolizidine Alkaloids in Three Further Species. Natural Product Letters, 8(1), 33–38. https://doi.org/10.1080/10575639608043236 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||