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THPN

CAT: 0013-GTR19199565-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199565-01Size:25 mg
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Description
THPN is a small molecule agonist of the nuclear receptor Nur77 (NR4A1) . It has been shown to induce autophagy in melanoma cell lines, making it a useful research tool for studying Nur77 signaling and autophagic pathways in cancer biology.
CAS Number
100079-26-3
Field of Research
Metabolism Research
Smiles
C (CCCCCCCC) (=O) C1=CC (O) =C (O) C (O) =C1
Molecular Formula
C15H22O4
Molecular Weight
266.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(3,4,5-Trihydroxyphenyl)nonan-1-one

a ligand for TR3 orphan nuclear receptor; structure in first source

CAS Number100079-26-3
PubChem CID3063200
IUPAC Name1-(3,4,5-trihydroxyphenyl)nonan-1-one
Molecular FormulaC15H22O4
Molecular Weight266.33
XLogP4.1
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity255
SMILES
CCCCCCCCC(=O)C1=CC(=C(C(=C1)O)O)O
InChI
InChI=1S/C15H22O4/c1-2-3-4-5-6-7-8-12(16)11-9-13(17)15(19)14(18)10-11/h9-10,17-19H,2-8H2,1H3
InChIKey
NVFRHTFJDGAFQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3,4,5-Trihydroxyphenyl)nonan-1-one
CAS: 100079-26-3
CID: 3063200
Formula: C15H22O4
MW: 266.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.33
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass266.15180918
Monoisotopic Mass266.15180918
Topological Polar Surface Area77.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity255
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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