Xanthotoxol

Names

[ CAS No. ]:
2009-24-7

[ Name ]:
Xanthotoxol

[Synonym ]:
9-hydroxyfuro[3,2-g]chromen-7-one
8-Hydroxypsoralen
T C566 DO LVOJ BQ
8-Hydroxy-4':5',6:7-furocoumarin
7H-Furo[3,2-g][1]benzopyran-7-one, 9-hydroxy-
9-Hydroxy-7H-furo[3,2-g]chromen-7-one
Xanthotoxol
EINECS 217-923-1

Biological Activity

[Description]:

Xanthotoxol is a biologically active linear furocoumarin, shows strong pharmacological activities as anti-inflammatory, antioxidant, 5-HT antagonistic, and neuroprotective effects.

[Related Catalog]:

Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor

Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor

Natural Products >> Phenylpropanoids

Research Areas >> Inflammation/Immunology

Research Areas >> Neurological Disease

[Target]

5-HT[1]

[References]

[1]. Ma Z, et al. Metabolism and Metabolic Inhibition of Xanthotoxol in Human Liver Microsomes. Evid Based Complement Alternat Med. 2016;2016:5416509.

[Related Small Molecules]

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
428.1±45.0 °C at 760 mmHg

[ Melting Point ]:
250ºC

[ Molecular Formula ]:
C₁₁H₆O₄

[ Molecular Weight ]:
202.163

[ Flash Point ]:
212.7±28.7 °C

[ Exact Mass ]:
202.026611

[ PSA ]:
63.58000

[ LogP ]:
0.72

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.711

[ Storage condition ]:
-20°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: LV1069000

CHEMICAL NAME :: 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy-

CAS REGISTRY NUMBER :: 2009-24-7

BEILSTEIN REFERENCE NO. :: 0189491

LAST UPDATED :: 199612

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C11-H6-O4

MOLECULAR WEIGHT :: 202.17

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 480 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 36,239,1992

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 36,239,1992

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 468 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 36,239,1992

Safety Information

[ Risk Phrases ]:
25

[ Safety Phrases ]:
20-45

[ RIDADR ]:
UN 2810

[ HS Code ]:
2932999099

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2932999099

[ Summary ]:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%