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(E) -β-Ionone

CAT: 0804-HY-W015084A-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W015084A-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(E) -β-Ionone is the isomer of β-Ionone. β-Ionone is effective in the induction of apoptosis in gastric adenocarcinoma SGC7901 cells. β-Ionone has anti-cancer activity[1].
CAS Number
79-77-6
Product Name Alternative
β-Lonone
UNSPSC
12352211
Hazard Statement
H411
Target
Apoptosis
Type
Natural Products
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/e-β-ionone.html
Concentration
10mM
Purity
99.1
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(/C=C/C1=C(C)CCCC1(C)C)=O
Molecular Formula
C13H20O
Molecular Weight
192.30
Precautions
H411
References & Citations
[1]Ansari M, et al. β-Ionone and its analogs as promising anticancer agents. Eur J Med Chem. 2016 Nov 10;123:141-154.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

I2-Ionone

Beta-ionone is an ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4. It has a role as an antioxidant and a fragrance.

CAS Number79-77-6
PubChem CID638014
IUPAC Name(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Molecular FormulaC13H20O
Molecular Weight192.30
XLogP2.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity292
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=O)C
InChI
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey
PSQYTAPXSHCGMF-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of I2-Ionone
CAS: 79-77-6
CID: 638014
Formula: C13H20O
MW: 192.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.30
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass192.151415257
Monoisotopic Mass192.151415257
Topological Polar Surface Area17.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity292
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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