Products for Research Use Only

Cynarin

CAT: 0013-GTR19167806-04Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19167806-04Size:1 ml x 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Cynarin (1,5-Dicaffeoylquinic acid) is a bioactive compound with neuroprotective and antioxidant properties, functioning through GSK3β inhibition and Bcl-2/Bax pathway modulation. It is utilized in research areas such as neurodegeneration and oxidative stress, with applications in both cellular and animal model studies.
CAS Number
30964-13-7
Product Name Alternative
Reactive Oxygen Species, ReactiveOxygenSpecies, Influenza Virus, InfluenzaVirus, inhibit, Inhibitor, Antioxidant, Antiviral, 1,5-Dicaffeoylquinic acid, Cynarin, Cynarine, Cyclohexanecarboxyli​c acid, 1, ​3-​bis[[3-​ (3, ​4-​dihydroxyphenyl) ​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​4, ​5-​dihydroxy-​, (1R, ​3R, ​4S, ​5R) ​-
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Metabolism Research, Signal Transduction
Purity
99.48% (May vary between batches)
Solubility
DMSO:250 mg/mL (484.07 mM)
Smiles
O[C@@H]1C[C@] (C[C@@H] (OC (=O) \C=C\c2ccc (O) c (O) c2) [C@H]1O) (OC (=O) \C=C\c1ccc (O) c (O) c1) C (O) =O
Molecular Formula
C25H24O12
Molecular Weight
516.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,5-Dicaffeoylquinic acid
CAS Number30964-13-7
PubChem CID122685
IUPAC Name(1R,3R,4S,5R)-1,3-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
Molecular FormulaC25H24O12
Molecular Weight516.4
XLogP1.5
Topological Polar Surface Area211
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity887
SMILES
C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O
InChI
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/t19-,20-,23+,25-/m1/s1
InChIKey
YDDUMTOHNYZQPO-GCBRTHAASA-N
Chemical Structure
2D Structure
2D structure of 1,5-Dicaffeoylquinic acid
CAS: 30964-13-7
CID: 122685
Formula: C25H24O12
MW: 516.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight516.4
XLogP31.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass516.12677620
Monoisotopic Mass516.12677620
Topological Polar Surface Area211 Ų
Heavy Atom Count37
Formal Charge0
Complexity887
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes