8-Geranyloxypsoralen
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8-Geranyloxypsoralen
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CAS No:
7437-55-0
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Formula:
C21H22O4
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Chemical Name:
8-Geranyloxypsoralen
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Synonyms:
7H-Furo[3,2-g][1]benzopyran-7-one,9-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-;7H-Furo[3,2-g][1]benzopyran-7-one,9-[(3,7-dimethyl-2,6-octadienyl)oxy]-,(E)-;5-Benzofuranacrylic acid,7-(geranyloxy)-6-hydroxy-,δ-lactone;7H-Furo[3,2-g][1]benzopyran-7-one,9-[[(2E)-3,7-dimethyl-2,6-octadienyl]oxy]-;9-[[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one;8-Geranyloxypsoralen
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CAS No:
Description
8-Geranyloxypsoralen is a furanocoumarin isolated from grapefruit, acts as a potent inhibitor of P450 3A4 (CYP3A4) with an IC50 of 3.93 μM[1].
Solid
9-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one is a terpene lactone.
Characteristics
52.58000
5.85
1.2±0.1 g/cm3
53-54 °C
503.7±50.0 °C at 760 mmHg
258.4±30.1 °C
1.583
0.034 mg/L @ 25 °C (est)
2-8°C
Computed Properties
Molecular Weight:338.4
XLogP3:5.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:338.15180918
Monoisotopic Mass:338.15180918
Topological Polar Surface Area:48.7
Heavy Atom Count:25
Complexity:570
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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