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Cynarin

CAT: 0931-T6S1529-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T6S1529-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
30964-13-7
Target
Antioxidant, Antiviral, Reactive Oxygen Species, Influenza Virus, ROS
Related Pathways
Metabolism, NF-κB, Immunology/Inflammation, Microbiology/Virology, Oxidation-Reduction
Purity
0.9988
Bioactivity
Cynarin (1,5-Dicaffeoylquinic acid) has neuroprotective, and antioxidant effects, it can inhibition of GSK3β as well as the modulation of Bcl-2/Bax.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

Alternative Products

CatalogName
MBS384580-01Cynarin
HY-N0359RCynarin (Standard)
A12004-10Cynarin 10mg
A12004-25Cynarin 25mg

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