General Characteristics
| NatID | 223 |
| Common Name | Parietin |
| Molecular Formula | C16H12O5 |
| Chemical Class | Anthracenes > Anthraquinones |
| Molecular Weight | 284.068 g/mol |
| Other names |
Representations
| Smiles | COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O |
| Inchi | InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3 |
| Inchi Key | FFWOKTFYGVYKIR-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.19 |
| TPSA | 83.83 |
| HBD | 2 |
| HBA | 5 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 2 |
| Heavy Atoms | 21 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9994 | Teloschistes flavicans | No | High | Comini, L. R., Morán Vieyra, F. E., Mignone, R. A., Páez, P. L., Laura Mugas, M., Konigheim, B. S., Cabrera, J. L., Núñez Montoya, S. C., & Borsarelli, C. D. (2017). Parietin: an efficient photo-screening pigment in vivo with good photosensitizing and photodynamic antibacterial effects in vitro. Photochemical & Photobiological Sciences, 16(2), 201–210. https://doi.org/10.1039/c6pp00334f |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||