Decussatin
Representations & DB's id
| ||
| ChEBI: | CHEBI:65732 | |
|---|---|---|
| ChEMBL: | CHEMBL26323 | |
| PubChem: | 5378284 | |
| IUPAC: | 8-hydroxy-1,2,6-trimethoxyxanthen-9-one | |
| Standard InChI: | InChI=1S/C16H14O6/c1-19-8-6-9(17)13-12(7-8)22-10-4-5-11(20-2)16(21-3)14(10)15(13)18/h4-7,17H,1-3H3 | |
| Standard InChI Key: | VYRIGRQQKUZPEX-UHFFFAOYSA-N | |
| SMILES: | COc1cc(O)c2c(c1)oc1c(c2=O)c(OC)c(cc1)OC | |
Molecular propeties
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| AlogP: | 2.68 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 302.08 | |
| Topological polar surface area: | 74.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.188 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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