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Cedrin

CAT: 0931-TN3618Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3618Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
75513-81-4
Target
Reactive Oxygen Species, Bcl-2 Family, Caspase, Beta Amyloid
Related Pathways
Proteases/Proteasome, Metabolism, Apoptosis, Neuroscience, NF-κB, Immunology/Inflammation
Bioactivity
Cedrin has protective effects on PC12 cells against the neurotoxicity induced by amyloid β1-42, the protective effect is related to the inhibition of oxidative stress, improvement of mitochondrial dysfunction and suppression of apoptosis.
Smiles
Cc1c(O)cc2O[C@H]([C@H](O)C(=O)c2c1O)c1cc(O)c(O)c(O)c1
Molecular Formula
C16H14O8
Molecular Weight
334.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cedrin
CAS Number75513-81-4
PubChem CID3083929
IUPAC Name4,5-dihydroxy-9-methoxy-3,5a-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
Molecular FormulaC15H18O6
Molecular Weight294.30
XLogP0
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity577
SMILES
CC1C2C(C(C3(C=CC(=O)C(=C3C2OC1=O)OC)C)O)O
InChI
InChI=1S/C15H18O6/c1-6-8-10(17)13(18)15(2)5-4-7(16)11(20-3)9(15)12(8)21-14(6)19/h4-6,8,10,12-13,17-18H,1-3H3
InChIKey
NMBLGAVLJLFABK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cedrin
CAS: 75513-81-4
CID: 3083929
Formula: C15H18O6
MW: 294.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight294.30
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass294.11033829
Monoisotopic Mass294.11033829
Topological Polar Surface Area93.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity577
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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