General Characteristics
| NatID | 1495 |
| Common Name | NatID_1495 |
| Molecular Formula | C28H34O6 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 466.236 g/mol |
| Other names | 1943697-89-9 |
Representations
| Smiles | C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2[C@@H](O)[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1 |
| Inchi | InChI=1S/C28H34O6/c1-14(19-13-25(2)27(4,34-25)24(31)32-19)15-7-9-17-16(12-15)8-10-18-21(17)22(30)23-28(33-23)11-5-6-20(29)26(18,28)3/h5-7,9,12,14,18-19,21-24,30-31H,8,10-11,13H2,1-4H3/t14-,18-,19+,21-,22+,23-,24+,25-,26-,27+,28-/m0/s1 |
| Inchi Key | FUMSLAZTZDHXSN-HFHOXHMLSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.14 |
| TPSA | 91.82 |
| HBD | 2 |
| HBA | 6 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 1 |
| Heavy Atoms | 34 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 6 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10145 | 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 |
| 10146 | 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 |
| 10147 | 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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