Basic information
- CAS
84-99-1- Standard SMILES
COc1c2c(cc3oc(=O)ccc13)OC(C)(C)C=C2- InChIKey
JSJIIHRNDMLJGK-UHFFFAOYSA-N- Molecular formula
- C15H14O4
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.08920892
Overview
Xanthoxyletin is a member of coumarins. It has a role as a metabolite.
Names & identifiers
- Preferred name
- Xanthoxyletin
- IUPAC
- 5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
- English name
- Xanthoxyletin
- Molecular formula
- C15H14O4
- Molecular weight
- 258.27
Names & synonyms
Xanthoxyletin84-99-1Xanthoxylin N5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one69MPX4M5VDNSC-355425-Methoxy-8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-oneDTXSID702328915-methoxy-2,2-dimethylpyrano(3,2-g)chromen-8-one5-Methoxy-8,8-dimethyl-2H,8H-pyrano(3,2-g)chromen-2-oneRefChem:195187DTXCID00155382
Show more names
5-methoxy-8,8-dimethylpyrano[3,2-g]chromen-2-one5-methoxy-8,8-dimethyl-pyrano[3,2-g]chromen-2-one5-Methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one2H,8H-Benzo[1,2-b:5,4-b']dipyran-2-one, 5-methoxy-8,8-dimethyl-
XanthoxyloinNSC 35542; Xanthoxylin NUNII-69MPX4M5VDNSC 35542XANTHOXYLETIN [MI]MLS000876794CHEMBL501358MEGxp0_001370
Database identifiers
- CAS
84-99-1- PubChem CID
- 66548
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 437
Experimental & physicochemical properties
Solubility40 mg/L @ 25 °C (exp)
Melting Point133 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 134 · 134-135℃ (ethanol )
- Boiling point
- 321.52 °C · 321.52°C (rough estimate)
- Density
- 1.1178 · 1.1178 (rough estimate)
- refractive index
- 1.43 · 1.4300 (estimate)
- LogP
- 3.64 · 3.640 (est)
- FDA UNII
- 69 MPX4M5VD · 69MPX4M5VD
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesXanthoxyletin is a coumarin that can be isolated from Genus Zanthoxylum and Clausena. Xanthoxyletin has antioxidant and anti-inflammatory activities. Xanthoxyletin shows cytotoxic effects to cancer cells, and induces apoptosis and necrosis. Xanthoxyletin can be used for the research of cancer and inflammation[1][2].
Suppliers31 total
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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