Shikonin
5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione
Also Known As: shikonin|Shikonine|Isoarnebin 4|Tokyo Violet|(+)-Shikonin|Anchusin|Shikonin S|Alkannin|(R)-Shikonin|beta-alkannin|Anchusa acid|(R)-(+)-Shikonin|Shikonin?|Alkanna Red|(-)-Shikonin|Shikonin (Standard)|shikonin, (+)-|(R)-5,8-Dihydroxy-2-(1-hydroxy-4-methylpent-3-en-1-yl)naphthalene-1,4-dione|BSPBio_001270|C.I. 75535;Isoarnebin 4|HY-N0822R|KS-00001FJP|C.I. 75535|5,8-Dihydroxy-2-[(1R)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione
| Molecular Formula | C16H16O5 |
|---|---|
| Molecular Weight | 288.09976 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.09976 |
| Monoisotopic Mass | 288.09976 |
| Heavy Atoms | 21 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 52091-99-3 |
|---|---|
| SMILES | CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C |
| InChIKey | NEZONWMXZKDMKF-SNVBAGLBSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Shikonin (CAS 52091-99-3), with molecular formula C16H16O5 and molecular weight 288.09976 g/mol. IUPAC: 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione.