General Characteristics
| NatID | 1391 |
| Common Name | NatID_1391 |
| Molecular Formula | C15H12O3 |
| Chemical Class | Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones |
| Molecular Weight | 240.079 g/mol |
| Other names |
Representations
| Smiles | O=C(/C=C/c1ccccc1)c1ccc(O)cc1O |
| Inchi | InChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+ |
| Inchi Key | JUMSUVHHUVPSOY-RMKNXTFCSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.99 |
| TPSA | 57.53 |
| HBD | 2 |
| HBA | 3 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 2 |
| Heavy Atoms | 18 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9931 | Flourensia oolepis | No | High | Joray, M. B., Trucco, L. D., González, M. L., Napal, G. N. D., Palacios, S. M., Bocco, J. L., & Carpinella, M. C. (2015). Antibacterial and Cytotoxic Activity of Compounds Isolated fromFlourensia oolepis. Evidence-Based Complementary and Alternative Medicine, 2015, 1–11. https://doi.org/10.1155/2015/912484 |
| 10025 | Zuccagnia punctata | No | High | Svetaz, L., Agüero, M., Alvarez, S., Luna, L., Feresin, G., Derita, M., Tapia, A., & Zacchino, S. (2007). Antifungal Activity of Zuccagnia punctata Cav.: Evidence for the Mechanism of Action. Planta Medica, 73(10), 1074–1080. https://doi.org/10.1055/s-2007-981561 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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