General Characteristics
| NatID | 1392 |
| Common Name | NatID_1392 |
| Molecular Formula | C15H12O4 |
| Chemical Class | Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones |
| Molecular Weight | 256.074 g/mol |
| Other names |
Representations
| Smiles | O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O |
| Inchi | InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+ |
| Inchi Key | DXDRHHKMWQZJHT-FPYGCLRLSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.70 |
| TPSA | 77.76 |
| HBD | 3 |
| HBA | 4 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 2 |
| Heavy Atoms | 19 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9934 | 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 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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