General Characteristics
| NatID | 1500 |
| Common Name | NatID_1500 |
| Molecular Formula | C28H38O7 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 486.262 g/mol |
| Other names | 1943697-94-6 |
Representations
| Smiles | C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23C[C@H](O)[C@@H](O)[C@H](O)[C@]13C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 |
| Inchi | InChI=1S/C28H38O7/c1-13(20-12-25(2)27(4,35-25)24(32)33-20)14-5-7-16-15(9-14)6-8-18-17(16)10-21-28(34-21)11-19(29)22(30)23(31)26(18,28)3/h5,7,9,13,17-24,29-32H,6,8,10-12H2,1-4H3/t13-,17-,18-,19-,20+,21-,22+,23-,24+,25-,26-,27+,28-/m0/s1 |
| Inchi Key | NWYFPYYRYOJERJ-VWVFCZNWSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.13 |
| TPSA | 115.21 |
| HBD | 4 |
| HBA | 7 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 1 |
| Heavy Atoms | 35 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10160 | 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 |
| 10161 | 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 |
| 10162 | 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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