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Orellanine

CAT: 0931-T33817-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T33817-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
37338-80-0
Target
Phosphatase, Others
Related Pathways
Others, Metabolism
Purity
0.9966
Bioactivity
Orellanine is a nephrotoxic compound extracted from the mushroom Cortinarius orellanus. Orellanine strongly inhibits the synthesis of macromolecules (Proteins, RNA and DNA) in Madin-Darby canine kidney cells and in rat liver mitochondria.
Smiles
OC1=C(N(=O)=CC=C1O)C2=C(O)C(O)=CC=N2=O
Molecular Formula
C10H8N2O6
Molecular Weight
252.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Orellanine

Orellanine is a member of bipyridines.

CAS Number37338-80-0
PubChem CID89579
IUPAC Name2-(1,3-dihydroxy-4-oxo-2-pyridinyl)-1,3-dihydroxypyridin-4-one
Molecular FormulaC10H8N2O6
Molecular Weight252.18
XLogP-1
Topological Polar Surface Area122
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity507
SMILES
C1=CN(C(=C(C1=O)O)C2=C(C(=O)C=CN2O)O)O
InChI
InChI=1S/C10H8N2O6/c13-5-1-3-11(17)7(9(5)15)8-10(16)6(14)2-4-12(8)18/h1-4,15-18H
InChIKey
JGRNMEQUBVRSQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Orellanine
CAS: 37338-80-0
CID: 89579
Formula: C10H8N2O6
MW: 252.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.18
XLogP3-1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass252.03823598
Monoisotopic Mass252.03823598
Topological Polar Surface Area122 Ų
Heavy Atom Count18
Formal Charge0
Complexity507
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

Alternative Products

CatalogName
M28005-01Orellanine
461609-01Orellanine discontinued

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