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Product Description
Mechanism of Action
SHIKONIN (ID 27442) displays a multidimensional biochemical activity profile integrating modulation of enzymatic pathways, receptor‑mediated signalling, mitochondrial bioenergetics, oxidative‑stress homeostasis, ion‑channel dynamics, membrane structural behaviour and transcription‑factor regulation. Structural modelling suggests interactions with catalytic residues, allosteric microdomains, transmembrane helices, signalling cofactors and cytoskeletal complexes. These interactions enable influence over phosphorylation cascades, second‑messenger flux (Ca²⁺, IP₃, DAG, cAMP), ROS balance, ATP turnover, membrane‑potential stability and organelle stress‑response thresholds.
Benefits and Applications
- Receptor–ligand affinity analysis and docking studies
- Enzyme‑kinetic profiling and catalytic‑flux pathway mapping
- Mitochondrial‑function modelling and ATP/ROS system evaluation
- Transcriptomic, metabolomic, proteomic and phosphoproteomic profiling
- Cytoskeletal‑architecture and membrane‑dynamics exploration
- Apoptosis, autophagy, necroptosis and ferroptosis pathway modelling
- SAR/QSAR modelling and compound‑optimisation workflows
- Mechanistic pharmacodynamics and dose–response simulation
Side Effects and Risks
- Oxidative‑stress imbalance and elevated ROS
- Mitochondrial overload or respiratory‑chain suppression
- Disruption of Ca²⁺/Na⁺/K⁺ ion‑homeostasis
- Unintended receptor cross‑talk or inhibitory signal interference
- Cytoskeletal destabilisation and membrane‑integrity reduction
- Dose‑dependent cytotoxicity or programmed‑cell‑death activation
- Transcriptional and epigenetic instability
- Inflammatory‑cascade activation (NF‑κB, MAPK, JNK)
Datasheet
| Molecular Formula | C16H16O5 |
|---|---|
| Molecular Weight | 288.29 g/mol |
| CAS Number | 517-89-5 |
| Storage Condition | Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature: 2-8 °C. Store with desiccant. |
| Solubility | Practically insoluble in aqueous solutions |
| Purity | Purity information is available upon request (COA). |
| Synonym | shikonin; 517-89-5; Tokyo Violet; Isoarnebin 4; (R)-(+)-Shikonin |
| IUPAC/Chemical Name | 5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione |
| InChl Key | NEZONWMXZKDMKF-SNVBAGLBSA-N |
| InChl Code | InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1 |
| References |
3D Conformer.
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