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8-Geranyloxypsoralen

CAT: 1410-M24753-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M24753-01Size:5 mg
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Description
8-Geranyloxypsoralen inhibits α²-secretase (BACE1) activity in non-competitive manner, with the IC (50) values <25.0 μM, it can induce vasorelaxation on rat arterial tissues.
CAS Number
7437-55-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
338.4
Molecular Formula
C21H22O4
Notes
Research use only, not for human use.
Receptor
Anti-infection|BACE|P450

Chemical Information

8-Geranyloxypsoralen

9-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one is a terpene lactone.

CAS Number7437-55-0
PubChem CID5317564
IUPAC Name9-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
Molecular FormulaC21H22O4
Molecular Weight338.4
XLogP5.3
Topological Polar Surface Area48.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity570
SMILES
CC(=CCC/C(=C/COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)/C)C
InChI
InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-19-17(10-12-23-19)13-16-7-8-18(22)25-20(16)21/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
InChIKey
SOVNCTNQAWWYAQ-OQLLNIDSSA-N
Chemical Structure
2D Structure
2D structure of 8-Geranyloxypsoralen
CAS: 7437-55-0
CID: 5317564
Formula: C21H22O4
MW: 338.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass338.15180918
Monoisotopic Mass338.15180918
Topological Polar Surface Area48.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity570
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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