Xanthopurpurin
Representations & DB's id
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| ChEBI: | CHEBI:37502 | |
|---|---|---|
| ChEMBL: | CHEMBL372711 | |
| PubChem: | 196978 | |
| IUPAC: | 1,3-dihydroxyanthracene-9,10-dione | |
| Standard InChI: | InChI=1S/C14H8O4/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,15-16H | |
| Standard InChI Key: | WPWWKBNOXTZDQJ-UHFFFAOYSA-N | |
| SMILES: | Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1 | |
Molecular propeties
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| AlogP: | 1.87 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 240.04 | |
| Topological polar surface area: | 74.6 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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