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Bergamotine

CAT: 0013-GTR19158566-05Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158566-05Size:5 mg
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Description
Bergamotine can significantly reduce blood glucose and increase glucose tolerance and insulin sensitivity in diabetic mice.
CAS Number
7380-40-7
Product Name Alternative
5-Geranoxypsoralen | Bergamotine | Bergaptin
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 50 mg/mL (147.75 mM)
Smiles
CC (=CCCC (=CCOC1=C2C=CC (=O) OC2=CC3=C1C=CO3) C) C
Molecular Formula
C21H22O4
Molecular Weight
338.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Bergamottin

Bergomottin is a furanocoumarin. It has a role as a metabolite.

CAS Number7380-40-7
PubChem CID5471349
IUPAC Name4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
Molecular FormulaC21H22O4
Molecular Weight338.4
XLogP5.6
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=CC(=O)OC2=CC3=C1C=CO3)/C)C
InChI
InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+
InChIKey
DBMJZOMNXBSRED-OQLLNIDSSA-N
Chemical Structure
2D Structure
2D structure of Bergamottin
CAS: 7380-40-7
CID: 5471349
Formula: C21H22O4
MW: 338.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP35.6
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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