General Characteristics
| NatID | 1695 |
| Common Name | NatID_1695 |
| Molecular Formula | C32H48O9 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 576.330 g/mol |
| Other names | 866925-39-5 |
Representations
| Smiles | COC(=O)[C@@]12CC[C@@]3(C)[C@@H]4CCC(=O)OCC4([C@@H](C)O)[C@@H](OC(C)=O)[C@@H](O)[C@@H]3[C@@]1(C)CC[C@@]1(C)CC=C(C)C[C@]12O |
| Inchi | InChI=1S/C32H48O9/c1-18-10-11-27(4)12-14-29(6)24-23(36)25(41-20(3)34)30(19(2)33)17-40-22(35)9-8-21(30)28(24,5)13-15-31(29,26(37)39-7)32(27,38)16-18/h10,19,21,23-25,33,36,38H,8-9,11-17H2,1-7H3/t19-,21+,23+,24+,25+,27-,28+,29-,30?,31+,32+/m1/s1 |
| Inchi Key | ZERQUNQBTHVAEA-RVMDMAERSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.47 |
| TPSA | 139.59 |
| HBD | 3 |
| HBA | 9 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 0 |
| Heavy Atoms | 41 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 9 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10415 | Galphimia glauca | No | Low | Herrera-Ruiz, M., González-Cortazar, M., Jiménez-Ferrer, E., Zamilpa, A., Álvarez, L., Ramírez, G., & Tortoriello, J. (2006). Anxiolytic Effect of Natural Galphimines from Galphimia glauca and their Chemical Derivatives. Journal of Natural Products, 69(1), 59–61. https://doi.org/10.1021/np050305x |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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