General Characteristics
| NatID | 604 |
| Common Name | mulinolic acid |
| Molecular Formula | C20H32O3 |
| Chemical Class | Prenol lipids > Diterpenoids |
| Molecular Weight | 320.235 g/mol |
| Other names |
Representations
| Smiles | CC(C)[C@H]1CC[C@H]2[C@@H]3C=C[C@](C)(O)CC[C@]3(C)CC[C@@]21C(=O)O |
| Inchi | InChI=1S/C20H32O3/c1-13(2)14-5-6-16-15-7-8-19(4,23)11-9-18(15,3)10-12-20(14,16)17(21)22/h7-8,13-16,23H,5-6,9-12H2,1-4H3,(H,21,22)/t14-,15+,16+,18-,19+,20+/m1/s1 |
| Inchi Key | LRZJASNGRXSNCR-MXFTUIMMSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.26 |
| TPSA | 57.53 |
| HBD | 2 |
| HBA | 2 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 0 |
| Heavy Atoms | 23 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9052 | Azorella prolifera | No | Very High | Chiaramello, A. I., Ardanaz, C. E., Garcı́a, E. E., & Rossomando, P. C. (2003). Mulinane-type diterpenoids from Mulinum spinosum. Phytochemistry, 63(8), 883–886. https://doi.org/10.1016/s0031-9422(03)00344-3 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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