XANTHOTOXOL GERANYL ETHER Chemical Properties

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 

Solid

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 Information

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

XANTHOTOXOL GERANYL ETHER Usage And Synthesis

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

XANTHOTOXOL GERANYL ETHER(7437-55-0)Related Product Information

• 3-Hydroxybakuchiol
• psoralidin
• BAVACHININ A
• Bakuchiol
• BAVACHIN
• ISOBAVACHALCONE
• 8-Prenyldaidzein
• Bavachalcone
• 1-[2-Hydroxy-4-methoxy-5-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
• XANTHOTOXOL