General Characteristics
| NatID | 1498 |
| Common Name | NatID_1498 |
| Molecular Formula | C34H42O10 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 610.278 g/mol |
| Other names | 1943697-92-4 |
Representations
| Smiles | CC(=O)Oc1cc([C@H](C)[C@H]2C[C@]3(C)O[C@]3(C)[C@H](OC(C)=O)O2)cc2c1[C@@H]1C[C@@H](OC(C)=O)[C@@]3(O)CC=CC(=O)[C@]3(C)[C@H]1CC2 |
| Inchi | InChI=1S/C34H42O10/c1-17(26-16-31(5)33(7,44-31)30(43-26)42-20(4)37)22-13-21-10-11-24-23(29(21)25(14-22)40-18(2)35)15-28(41-19(3)36)34(39)12-8-9-27(38)32(24,34)6/h8-9,13-14,17,23-24,26,28,30,39H,10-12,15-16H2,1-7H3/t17-,23+,24-,26+,28+,30+,31-,32-,33+,34-/m0/s1 |
| Inchi Key | WSZOQNJLCPUOPJ-OCDOERSMSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.19 |
| TPSA | 137.96 |
| HBD | 1 |
| 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 |
|---|---|---|---|---|
| 10154 | 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 |
| 10155 | 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 |
| 10156 | 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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