Toxyloxanthone C
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL459022 | |
| PubChem: | 5495919 | |
| IUPAC: | 4,8,9-trihydroxy-2,3,3-trimethyl-2H-furo[3,2-b]xanthen-5-one | |
| Standard InChI: | InChI=1S/C18H16O6/c1-7-18(2,3)13-11(23-7)6-10-12(16(13)22)14(20)8-4-5-9(19)15(21)17(8)24-10/h4-7,19,21-22H,1-3H3 | |
| Standard InChI Key: | UMGNGSNVYJDUQS-UHFFFAOYSA-N | |
| SMILES: | CC1Oc2c(C1(C)C)c(O)c1c(c2)oc2c(c1=O)ccc(c2O)O | |
Molecular propeties
| ||
| AlogP: | 3.12 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 4 | |
| Molecular Weight: | 328.09 | |
| Topological polar surface area: | 96.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.278 | |
| Number of carbons: | 18 | |