General Characteristics
| NatID | 1600 |
| Common Name | NatID_1600 |
| Molecular Formula | C21H26O5 |
| Chemical Class | |
| Molecular Weight | 358.178 g/mol |
| Other names | 76985-30-3 |
Representations
| Smiles | C/C=C/c1ccc(O[C@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 |
| Inchi | InChI=1S/C21H26O5/c1-6-7-15-8-10-18(19(12-15)24-4)26-14(2)21(22)16-9-11-17(23-3)20(13-16)25-5/h6-14,21-22H,1-5H3/b7-6+/t14-,21+/m1/s1 |
| Inchi Key | NUDWCJJMQATDKB-GJXMQXPMSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.25 |
| TPSA | 57.15 |
| HBD | 1 |
| HBA | 5 |
| Rotatable Bonds | 8 |
| Aromatic Rings | 2 |
| Heavy Atoms | 26 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10288 | Virola surinamensis | No | Low | Zacchino, S. A., & Badano, H. (1985). Stereoselective Synthesis of 8.0.4’ Neolignans: (±)-Surinamensin and (±)-Virolin. Journal of Natural Products, 48(5), 830–832. https://doi.org/10.1021/np50041a024 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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