General Characteristics
| NatID | 602 |
| Common Name | mulin-11-ene-13-α,14-α-dihydroxy-20-oic acid |
| Molecular Formula | C20H32O4 |
| Chemical Class | Prenol lipids > Diterpenoids |
| Molecular Weight | 336.230 g/mol |
| Other names |
Representations
| Smiles | CC(C)[C@H]1CC[C@H]2[C@@H]3C=C[C@](C)(O)[C@H](O)C[C@]3(C)CC[C@@]21C(=O)O |
| Inchi | InChI=1S/C20H32O4/c1-12(2)13-5-6-15-14-7-8-19(4,24)16(21)11-18(14,3)9-10-20(13,15)17(22)23/h7-8,12-16,21,24H,5-6,9-11H2,1-4H3,(H,22,23)/t13-,14+,15+,16-,18+,19+,20+/m1/s1 |
| Inchi Key | VCHZZEWOPLDLLE-DXGFZXISSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.23 |
| TPSA | 77.76 |
| HBD | 3 |
| HBA | 3 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 0 |
| Heavy Atoms | 24 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9054 | 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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