General Characteristics
| NatID | 1597 |
| Common Name | NatID_1597 |
| Molecular Formula | C10H12NaO2 |
| Chemical Class | Phenols > Methoxyphenols |
| Molecular Weight | 187.073 g/mol |
| Other names | 55435-12-6 |
Representations
| Smiles | C/C=C/c1ccc(O)c(OC)c1.[Na] |
| Inchi | InChI=1S/C10H12O2.Na/c1-3-4-8-5-6-9(11)10(7-8)12-2;/h3-7,11H,1-2H3;/b4-3+; |
| Inchi Key | ICIJQMIXITYDBE-BJILWQEISA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.05 |
| TPSA | 29.46 |
| HBD | 1 |
| HBA | 2 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 1 |
| Heavy Atoms | 13 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10285 | 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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