General Characteristics
| NatID | 1455 |
| Common Name | NatID_1455 |
| Molecular Formula | C16H14O5 |
| Chemical Class | Flavonoids > O-methylated flavonoids |
| Molecular Weight | 286.084 g/mol |
| Other names | 61823-56-1 |
Representations
| Smiles | COc1cc(O)cc2c1C(=O)CC(c1ccc(O)cc1)O2 |
| Inchi | InChI=1S/C16H14O5/c1-20-14-6-11(18)7-15-16(14)12(19)8-13(21-15)9-2-4-10(17)5-3-9/h2-7,13,17-18H,8H2,1H3 |
| Inchi Key | CWZLMWSCLBFCBY-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.81 |
| TPSA | 75.99 |
| HBD | 2 |
| HBA | 5 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 2 |
| Heavy Atoms | 21 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10091 | Achyrocline flaccida | No | Low | Norbedo, C., Ferraro, G., & Coussio, J. D. (1982). A New Flavanone From Achyrocline flaccida. Journal of Natural Products, 45(5), 635–636. https://doi.org/10.1021/np50023a020 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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