| Identification | Back Directory | [Name]
acetylshikonin | [CAS]
54984-93-9 | [Synonyms]
1,4-Naphthalenedione, 2-(1-(acetyloxy)-4-methyl-3-pentenyl)-5,8-dihydroxy-
1,4-Naphthalenedione, 2-[1-(acetyloxy)-4-methyl-3-penten-1-yl]-5,8-dihydroxy- | [Molecular Formula]
C18H18O6 | [MOL File]
54984-93-9.mol | [Molecular Weight]
330.33 |
| Chemical Properties | Back Directory | [Boiling point ]
553.2±50.0 °C(Predicted) | [density ]
1.326±0.06 g/cm3(Predicted) | [solubility ]
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | [form ]
Powder | [pka]
7.12±0.20(Predicted) | [LogP]
2.700 (est) |
| Hazard Information | Back Directory | [Uses]
DL-Acetylshikonin is a non-selective, reversible cytochrome P450 inhibitor with IC50 values of 1.4-4.0 μM. DL-Acetylshikonin has anti-cancer and anti-inflammatory activities[1]. | [Definition]
ChEBI: Acetylshikonin is an acetate ester and a hydroxy-1,4-naphthoquinone. | [IC 50]
CYP2C8: 1.4 μM (IC50); CYP2B6: 2.0 μM (IC50); CYP3A: 2.3 μM (IC50); CYP2C19: 2.5 μM (IC50); CYP2D6: 2.5 μM (IC50); CYP2E1: 2.7 μM (IC50); CYP2C9: 3.3 μM (IC50); CYP2J2: 3.3 μM (IC50); CYP2A6: 3.8 μM (IC50); CYP1A2: 4.0 μM (IC50) | [References]
[1] Shon JC, et al. Acetylshikonin is a novel non-selective cytochrome P450 inhibitor. Biopharm Drug Dispos. 2017 Dec;38(9):553-556. DOI:10.1002/bdd.2101 |
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