General Characteristics
| NatID | 229 |
| Common Name | Damnacanthal |
| Molecular Formula | C16H10O5 |
| Chemical Class | Anthracenes > Anthraquinones |
| Molecular Weight | 282.053 g/mol |
| Other names |
Representations
| Smiles | COc1c(C=O)c(O)cc2c1C(=O)c1ccccc1C2=O |
| Inchi | InChI=1S/C16H10O5/c1-21-16-11(7-17)12(18)6-10-13(16)15(20)9-5-3-2-4-8(9)14(10)19/h2-7,18H,1H3 |
| Inchi Key | IPDMWUNUULAXLU-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.99 |
| TPSA | 80.67 |
| HBD | 1 |
| 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 |
|---|---|---|---|---|
| 9679 | Heterophyllaea pustulata | No | Very High | Núñez Montoya, S. C., Agnese, A. M., & Cabrera, J. L. (2006). Anthraquinone Derivatives from Heterophyllaea pustulata. Journal of Natural Products, 69(5), 801–803. https://doi.org/10.1021/np050181o |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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