General Characteristics
| NatID | 1763 |
| Common Name | NatID_1763 |
| Molecular Formula | C14H8O2 |
| Chemical Class | Anthracenes > Anthraquinones |
| Molecular Weight | 208.052 g/mol |
| Other names | 84-65-1 |
Representations
| Smiles | O=C1c2ccccc2C(=O)c2ccccc21 |
| Inchi | InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H |
| Inchi Key | RZVHIXYEVGDQDX-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.46 |
| TPSA | 34.14 |
| HBD | 0 |
| HBA | 2 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 2 |
| Heavy Atoms | 16 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10488 | Heterophyllaea pustulata | No | Low | 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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