Macluraxanthone
Representations & DB's id
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| ChEBI: | CHEBI:6623 | |
|---|---|---|
| ChEMBL: | CHEMBL478960 | |
| PubChem: | 5281646 | |
| IUPAC: | 5,9,10-trihydroxy-2,2-dimethyl-12-(2-methylbut-3-en-2-yl)pyrano[3,2-b]xanthen-6-one | |
| Standard InChI: | InChI=1S/C23H22O6/c1-6-22(2,3)15-19-12(9-10-23(4,5)29-19)17(26)14-16(25)11-7-8-13(24)18(27)20(11)28-21(14)15/h6-10,24,26-27H,1H2,2-5H3 | |
| Standard InChI Key: | XRVLGJCHUWXTDX-UHFFFAOYSA-N | |
| SMILES: | C=CC(c1c2OC(C)(C)C=Cc2c(c2c1oc1c(O)c(O)ccc1c2=O)O)(C)C | |
Molecular propeties
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| AlogP: | 4.71 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 394.14 | |
| Topological polar surface area: | 96.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.261 | |
| Number of carbons: | 23 | |