Aloesin
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Also Known As: Aloesin|Aloeresin|Aloe resin B|Aloeresin B|Aloersin B|ALOESIN [MI]|HY-N2460|s9284|3-(4-Hydroxy-3-methylbenzoyl)benzoic acid|4H-1-Benzopyran-4-one, 8-beta-D-glucopyranosyl-7-hydroxy-5-methyl-2-(2-oxopropyl)-|8-beta-D-glucopyranosyl-7-hydroxy-5-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one
| Molecular Formula | C19H22O9 |
|---|---|
| Molecular Weight | 394.12637 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.12637 |
| Monoisotopic Mass | 394.12637 |
| Heavy Atoms | 28 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 3569-84-4 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
| InChIKey | HKIKAXXIWJHWLY-ZIIYPAMZSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aloesin (CAS 3569-84-4), with molecular formula C19H22O9 and molecular weight 394.12637 g/mol. IUPAC: 7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one.
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