1,6,7-Trihydroxy-2,3-Dimethoxyxanthone
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL2436929 | |
| PubChem: | 12133316 | |
| IUPAC: | 1,6,7-trihydroxy-2,3-dimethoxyxanthen-9-one | |
| Standard InChI: | InChI=1S/C15H12O7/c1-20-11-5-10-12(14(19)15(11)21-2)13(18)6-3-7(16)8(17)4-9(6)22-10/h3-5,16-17,19H,1-2H3 | |
| Standard InChI Key: | TZKSXJLHDJMYHG-UHFFFAOYSA-N | |
| SMILES: | COc1cc2oc3cc(O)c(cc3c(=O)c2c(c1OC)O)O | |
Molecular propeties
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| AlogP: | 2.08 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 304.06 | |
| Topological polar surface area: | 105 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.133 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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