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Alkannin

CAT: 0013-GTR19158858-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158858-02Size:200 mg
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Description
Shikonin is a natural red naphthoquinone pigment has antimicrobial anti-tumor and anti-inflammatory effects; a purified shikonin preparation is widely used for the production of medicinals cosmetics and some food products; shikonin also enters into the antiinflammatory ointment and cream compositions used for the treatment of burns. It can suppress the cell viability adhesion invasion and migratory ability of MGC-803 cells through TLR2- or NF-κB-mediated pathway. (In Vitro) : (-) -Alkannin inhibits HCT-116 and SW-480 cells growth with IC50s of 2.38 and 4.53 μM, respectively.
CAS Number
517-88-4
Product Name Alternative
Shikonin
Purity
>98% (HPLC)
Solubility
DMSO:10 mM
Smiles
C\C (C) =C\C[C@H] (O) C1=CC (=O) c2c (O) ccc (O) c2C1=O
Molecular Formula
C16H16O5
Molecular Weight
288.3
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(S) -58-Dihydroxy-2- (1-hydroxy-4-methylpent-3-enyl) -14-naphthoquinone

Chemical Information

Alkannin

Alkannin is a hydroxy-1,4-naphthoquinone.

CAS Number517-88-4
PubChem CID72521
IUPAC Name5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione
Molecular FormulaC16H16O5
Molecular Weight288.29
XLogP3
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity501
SMILES
CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C
InChI
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-/m0/s1
InChIKey
NEZONWMXZKDMKF-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of Alkannin
CAS: 517-88-4
CID: 72521
Formula: C16H16O5
MW: 288.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.29
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass288.09977361
Monoisotopic Mass288.09977361
Topological Polar Surface Area94.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity501
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
SM3005-10mMAlkannin
AB2945(±) -Alkannin
MBS5765318Acetyl alkannin
T4958-01(-) -Alkannin

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