General Characteristics
| NatID | 1644 |
| Common Name | NatID_1644 |
| Molecular Formula | C11H10O4 |
| Chemical Class | Coumarins and derivatives > Hydroxycoumarins |
| Molecular Weight | 206.058 g/mol |
| Other names | 83161-72-2 |
Representations
| Smiles | COc1cc(=O)oc2c(O)ccc(C)c12 |
| Inchi | InChI=1S/C11H10O4/c1-6-3-4-7(12)11-10(6)8(14-2)5-9(13)15-11/h3-5,12H,1-2H3 |
| Inchi Key | FTTSLAMJKUQKQB-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.82 |
| TPSA | 59.67 |
| HBD | 1 |
| HBA | 4 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 2 |
| Heavy Atoms | 15 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 1 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10342 | Perezia carthamoides | No | Low | Guerreiro, E., & Joseph-Nathan, P. (1987). Coumarins from Perezia carthamoides. Journal of Natural Products, 50(2), 334–334. https://doi.org/10.1021/np50050a062 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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