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Jacaric Acid

CAT: 0013-GTR19191592-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191592-02Size:5 mg
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Description
Jacaric acid is an ω-6 conjugated 18-carbon fatty acid derived from Jacaranda seeds. It exhibits anticancer activity in vitro by inducing ROS-mediated apoptosis and cell cycle arrest (GI50 1-5 μM), and inhibits cyclooxygenase-1 (Ki=1.7 μM) . In vivo, it is metabolized to conjugated linoleic acid and modulates stearoyl-CoA desaturase activity.
CAS Number
28872-28-8
Field of Research
Cell Biology
Smiles
CCCCC\C=C/C=C/C=C\CCCCCCC (O) =O
Molecular Formula
C18H30O2
Molecular Weight
278.436
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Jacaric acid

8Z,10E,12Z-octadecatrienoic acid is an octadecatrienoic acid.

CAS Number28872-28-8
PubChem CID5282817
IUPAC Name(8Z,10E,12Z)-octadeca-8,10,12-trienoic acid
Molecular FormulaC18H30O2
Molecular Weight278.4
XLogP6.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count20
Formal Charge0
Complexity301
SMILES
CCCCC/C=C\C=C\C=C/CCCCCCC(=O)O
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-11H,2-5,12-17H2,1H3,(H,19,20)/b7-6-,9-8+,11-10-
InChIKey
DQGMPXYVZZCNDQ-KDQYYBQISA-N
Chemical Structure
2D Structure
2D structure of Jacaric acid
CAS: 28872-28-8
CID: 5282817
Formula: C18H30O2
MW: 278.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.4
XLogP36.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass278.224580195
Monoisotopic Mass278.224580195
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity301
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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