General Characteristics
| NatID | 1497 |
| Common Name | NatID_1497 |
| Molecular Formula | C32H40O9 |
| Chemical Class | Steroids and steroid derivatives > Hydroxysteroids |
| Molecular Weight | 568.267 g/mol |
| Other names | 1943697-91-3 |
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](O)[C@@]3(O)CC=CC(=O)[C@]3(C)[C@H]1CC2 |
| Inchi | InChI=1S/C32H40O9/c1-16(24-15-29(4)31(6,41-29)28(40-24)39-18(3)34)20-12-19-9-10-22-21(27(19)23(13-20)38-17(2)33)14-26(36)32(37)11-7-8-25(35)30(22,32)5/h7-8,12-13,16,21-22,24,26,28,36-37H,9-11,14-15H2,1-6H3/t16-,21+,22-,24+,26+,28+,29-,30-,31+,32-/m0/s1 |
| Inchi Key | JNVNAWSCYOKZLY-GVKYTIRLSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.62 |
| TPSA | 131.89 |
| HBD | 2 |
| HBA | 9 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 1 |
| Heavy Atoms | 41 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 9 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10151 | 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 |
| 10152 | 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 |
| 10153 | 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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