Alvaxanthone
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL478937 | |
| PubChem: | 12305823 | |
| IUPAC: | 1,3,5,6-tetrahydroxy-2-(2-methylbut-3-en-2-yl)-8-(3-methylbut-2-enyl)xanthen-9-one | |
| Standard InChI: | InChI=1S/C23H24O6/c1-6-23(4,5)18-13(24)10-15-17(21(18)28)20(27)16-12(8-7-11(2)3)9-14(25)19(26)22(16)29-15/h6-7,9-10,24-26,28H,1,8H2,2-5H3 | |
| Standard InChI Key: | IXUNODGMZUQIQP-UHFFFAOYSA-N | |
| SMILES: | C=CC(c1c(O)cc2c(c1O)c(=O)c1c(o2)c(O)c(cc1CC=C(C)C)O)(C)C | |
Molecular propeties
| ||
| AlogP: | 4.74 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 396.16 | |
| Topological polar surface area: | 107 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.304 | |
| Number of carbons: | 23 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|