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Cotoin

CAT: 0931-TN1528-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1528-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
479-21-0
Target
Cholinesterase (ChE)
Related Pathways
Neuroscience
Purity
>99.99%
Bioactivity
Cotoin, a natural product isolated from the stem bark of Garcinia virgate, exhibits antispasmodic activity by reducing the tone and contraction of isolated rabbit intestine. It partially inhibits the effects of acetylcholine, trichothecenes, and BaCl on the isolated intestine.
Smiles
C(=O)(C1=C(O)C=C(OC)C=C1O)C2=CC=CC=C2
Molecular Formula
C14H12O4
Molecular Weight
244.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cotoin
CAS Number479-21-0
PubChem CID10175
IUPAC Name(2,6-dihydroxy-4-methoxyphenyl)-phenylmethanone
Molecular FormulaC14H12O4
Molecular Weight244.24
XLogP3.1
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity274
SMILES
COC1=CC(=C(C(=C1)O)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C14H12O4/c1-18-10-7-11(15)13(12(16)8-10)14(17)9-5-3-2-4-6-9/h2-8,15-16H,1H3
InChIKey
HNJZOHHIXSIJFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cotoin
CAS: 479-21-0
CID: 10175
Formula: C14H12O4
MW: 244.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.24
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass244.07355886
Monoisotopic Mass244.07355886
Topological Polar Surface Area66.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity274
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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