General Characteristics
| NatID | 1790 |
| Common Name | Gravelliferone |
| Molecular Formula | C19H22O3 |
| Chemical Class | Coumarins and derivatives > Hydroxycoumarins |
| Molecular Weight | 298.157 g/mol |
| Other names |
Representations
| Smiles | C=CC(C)(C)c1cc2cc(CC=C(C)C)c(O)cc2oc1=O |
| Inchi | nan |
| Inchi Key | nan |
| 3D Structure |
Calculated Properties
| clogP | 4.47 |
| TPSA | 50.44 |
| HBD | 1 |
| HBA | 3 |
| Rotatable Bonds | 4 |
| Aromatic Rings | 2 |
| Heavy Atoms | 22 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 1 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10515 | Helietta apiculata | No | Unknown | Julián Fernández, Leandro Martinez Heredia, Fernando Caracciolo, Daniel Esses, Rodrigo Suarez, Gaston Siless, Concepcion Perez, María Isabel Rodríguez‐Franco, Lucía Fernández, Jorge Palermo, Martín Lavecchia. Chemistry – A European Journal (2024) Julián Fernández, Leandro Martinez Heredia, Fernando Caracciolo, Daniel Esses, Rodrigo Suarez, Gaston Siless, Concepcion Perez, María Isabel Rodríguez‐Franco, Lucía Fernández, Jorge Palermo, Martín Lavecchia. Chemistry – A European Journal (2024), None:None p.None |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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