General Characteristics
| NatID | 1496 |
| Common Name | NatID_1496 |
| Molecular Formula | C34H44O10 |
| Chemical Class | Prenol lipids > Terpene glycosides |
| Molecular Weight | 612.293 g/mol |
| Other names | 1943697-90-2 |
Representations
| Smiles | CC(=O)O[C@H]1O[C@@H]([C@@H](C)c2ccc3c(c2)CC[C@H]2[C@H]3C[C@@H](OC(C)=O)[C@@]3(O)CC=CC(=O)[C@]23C)C[C@@](C)(O)[C@]1(C)OC(C)=O |
| Inchi | InChI=1S/C34H44O10/c1-18(27-17-31(5,39)33(7,44-21(4)37)30(43-27)42-20(3)36)22-10-12-24-23(15-22)11-13-26-25(24)16-29(41-19(2)35)34(40)14-8-9-28(38)32(26,34)6/h8-10,12,15,18,25-27,29-30,39-40H,11,13-14,16-17H2,1-7H3/t18-,25-,26-,27+,29+,30-,31+,32-,33+,34-/m0/s1 |
| Inchi Key | MHPBKDYXRWYYKL-CMWKMCFJSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.79 |
| TPSA | 145.66 |
| HBD | 2 |
| HBA | 10 |
| Rotatable Bonds | 5 |
| Aromatic Rings | 1 |
| Heavy Atoms | 44 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 10 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10148 | Curvularia lunata | No | Low | Basso, A. V., Nicotra, V. E., Parra, A., Martínez, A., & Fernández-Vivas, A. (2016). Biotransformation of Salpichrolides A, C, and G by Three Filamentous Fungi. Journal of Natural Products, 79(6), 1658–1667. https://doi.org/10.1021/acs.jnatprod.6b00310 |
| 10149 | Rhizomucor miehei | No | Low | Basso, A. V., Nicotra, V. E., Parra, A., Martínez, A., & Fernández-Vivas, A. (2016). Biotransformation of Salpichrolides A, C, and G by Three Filamentous Fungi. Journal of Natural Products, 79(6), 1658–1667. https://doi.org/10.1021/acs.jnatprod.6b00310 |
| 10150 | Cunninghamella elegans | No | Low | Basso, A. V., Nicotra, V. E., Parra, A., Martínez, A., & Fernández-Vivas, A. (2016). Biotransformation of Salpichrolides A, C, and G by Three Filamentous Fungi. Journal of Natural Products, 79(6), 1658–1667. https://doi.org/10.1021/acs.jnatprod.6b00310 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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