Sudachitin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL479233 | |
| PubChem: | 12443122 | |
| IUPAC: | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)11-7-10(20)13-14(21)17(24-2)15(22)18(25-3)16(13)26-11/h4-7,19,21-22H,1-3H3 | |
| Standard InChI Key: | XRHHDQSPFPQKMS-UHFFFAOYSA-N | |
| SMILES: | COc1cc(ccc1O)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)O | |
Molecular propeties
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| AlogP: | 2.6 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 360.08 | |
| Topological polar surface area: | 115 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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