Xanthotoxol

Modify Date: 2026-06-30 13:57:22

Xanthotoxol Structure
Xanthotoxol structure
 Common Name Xanthotoxol
CAS Number 2009-24-7 Molecular Weight 202.163
Density 1.5±0.1 g/cm3 Boiling Point 428.1±45.0 °C at 760 mmHg
Molecular Formula C11H6O4 Melting Point 250ºC
MSDS N/A Flash Point 212.7±28.7 °C

 Use of Xanthotoxol


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

Summary: Xanthotoxol, also known as花椒毒酚, is a linear furanocoumarin with a molecular formula of C11H6O4 and a molecular weight of 202.163. The melting point is 250°C and the boiling point is 428.1±45.0°C. Its density is 1.5±0.1g/cm3. This compound exhibits anti-inflammatory, antioxidant, 5-HT antagonistic, and neuroprotective activities. For research-use only, not for medical or clinical usage.

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name Xanthotoxol
Synonym More Synonyms

 Xanthotoxol Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

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

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

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
InChIKey JWVYQQGERKEAHW-UHFFFAOYSA-N
SMILES O=c1ccc2cc3ccoc3c(O)c2o1
Storage condition -20°C

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

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

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Risk Phrases 25
Safety Phrases 20-45
RIDADR UN 2810
HS Code 2932999099

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

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%

 XanthotoxolBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: Antioxidant activity assessed as protection against Cu(2+)/GST-induced DNA damage up ...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL1166378
Name: Absorbance-based primary biochemical high throughput screening assay to identify acti...
Source: The Scripps Research Institute Molecular Screening Center
Target: caspase-3 preproprotein [Homo sapiens]
External Id: PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
Total 127, Current Page 1 of 13
1
2
3
4
5

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

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

 Xanthotoxol | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the upstream materials of Xanthotoxol?
A: Related upstream materials(CAS) of Xanthotoxol: 298-81-7;482-44-0;86290-70-2;71612-25-4;143390-87-8;93-35-6;10387-49-2;6748-68-1;72939-36-7.
Q: What is the InChIKey of Xanthotoxol?
A: InChIKey of Xanthotoxol is JWVYQQGERKEAHW-UHFFFAOYSA-N.
Q: What is the SMILES notation of Xanthotoxol?
A: SMILES notation of Xanthotoxol is O=c1ccc2cc3ccoc3c(O)c2o1.
Q: What are the storage conditions for Xanthotoxol?
A: Storage conditions for Xanthotoxol: -20°C.
Q: What is the molecular formula of Xanthotoxol?
A: Molecular formula of Xanthotoxol is C11H6O4.
Q: What is the molecular weight of Xanthotoxol?
A: Molecular weight of Xanthotoxol is 202.163.
Q: What is the CAS number of Xanthotoxol?
A: CAS number of Xanthotoxol is 2009-24-7.
Q: What are the downstream products of Xanthotoxol?
A: Related downstream products(CAS) of Xanthotoxol: 14348-23-3;482-44-0;298-81-7;68123-30-8;10386-19-3;15558-40-4;1603-47-0;78497-51-5;78497-52-6;78497-53-7.
Q: What is the English name of Xanthotoxol?
A: The English name of Xanthotoxol is Xanthotoxol.
Q: What is the LogP of Xanthotoxol?
A: LogP of Xanthotoxol is 0.72.

 Xanthotoxolfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
BioBioPha
naturewill
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Chemsrc provides Xanthotoxol(CAS#:2009-24-7) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of Xanthotoxol are included as well.>> amp version: Xanthotoxol

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