Acetylshikonin

Datasheet MSDS
Catalog Number
ANC00057
Product Name
Acetylshikonin
Structure
Acetylshikonin
CAS Number
24502-78-1
IUPAC Name
[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate
Synonyms
Acetylshikonin; 1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-ylacetate; (1R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-ylacetate
Molecular Formula
C18H18O6
Molecular Weight
330.3
Appearance
Powder
Purity
>98%
Density
1.326±0.06g/cm3 (Predicted)
Melting Point
86°C
Boiling Point
553.2±50.0°C (Predicted)
Description
Acetylshikonin, derived from the roots of Lithos vulgaris, has anticancer and anti-inflammatory effects Acetylshikonin is a non-selective cytochrome P450 inhibitor with an IC50 value of 1.4-4.0μM against all P450 isoforms Acetylshikonin is an inhibitor of AChE and has strong anti-apoptotic activity
SMILES
CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C)C
InChI
InChI=1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3/t15-/m1/s1
InChI Key
WNFXUXZJJKTDOZ-OAHLLOKOSA-N
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