| Identification | Back Directory | [Name]
XANTHOTOXOL GERANYL ETHER | [CAS]
7437-55-0 | [Synonyms]
8-Geranopsoralen
XANTHOTOXOL GERANYL ETHER
GERANYLOXYPSORALEN, 8- (P)
9-((3,7-Dimethylocta-2,6-dien-1-yl)-oxy)-7H-furo[3,2-g]chromen-7-one
(E)-9-((3,7-Dimethyl-2,6-octadienyl)oxy)-7H-furo(3,2-G)(1)benzopyran-7-one
7H-Furo(3,2-G)(1)benzopyran-7-one, 9-((3,7-dimethyl-2,6-octadienyl)oxy)-, (E)-
9-[[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one
7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]- | [Molecular Formula]
C21H22O4 | [MDL Number]
MFCD03412052 | [MOL File]
7437-55-0.mol | [Molecular Weight]
338.4 |
| Chemical Properties | Back Directory | [Melting point ]
53-54 °C | [Boiling point ]
503.7±50.0 °C(Predicted) | [density ]
1.153±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
Soluble in acetonitrile and chloroform | [form ]
neat | [color ]
White | [BRN ]
313632 | [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 | [SMILES]
[o]1c2c(cc3c([o]cc3)c2OC\C=C(\CCC=C(C)C)/C)cc[c]1=O | [LogP]
5.850 (est) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H317 | [Precautionary statements ]
P280 | [Hazard Codes ]
Xn | [Risk Statements ]
22-43 | [Safety Statements ]
36-37 | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Skin Sens. 1 |
| Hazard Information | Back Directory | [Uses]
8-Geranyloxypsoralen is an anti-bacterial substances that were active against oral bacteria that causes dental caries and periodontitis such as Streptococcus mutans, Prevotella intermedia, and Porphyromonas gingivalis. Also, it is an β-secretase inhibitor. | [Definition]
ChEBI: 9-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one is a terpene lactone. | [IC 50]
CYP3 | [storage]
4°C, protect from light |
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