Basic information
- CAS
523-59-1- Standard SMILES
CC1(C)C=Cc2c(ccc3ccc(=O)oc23)O1- InChIKey
QUVCQYQEIOLHFZ-UHFFFAOYSA-N- Molecular formula
- C14H12O3
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.07864424
Overview
Seselin is a member of coumarins. It has a role as a metabolite.
Names & identifiers
- Preferred name
- Seselin
- IUPAC
- 8,8-dimethylpyrano[2,3-f]chromen-2-one
- English name
- SESELIN
- Molecular formula
- C14H12O3
- Molecular weight
- 228.24
Names & synonyms
Seselin523-59-1Amyrolin8,8-Dimethyl-2H,8H-pyrano[2,3-f]chromen-2-one8,8-dimethylpyrano[2,3-f]chromen-2-one8,8-Dimethyl-2H,8H-benzo(1,2-b:3,4-b')dipyran-2-one8,8-Dimethyl-2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 8,8-dimethyl-5634E8957P2H,8H-Benzo(1,2-b:3,4-b')dipyran-2-one, 8,8-dimethyl-DTXSID602003228,8-dimethylpyrano(2,3-f)chromen-2-one
Show more names
Xie Hao SuSeselin, 10 mM in DMSO8,8-dimethylpyrano[2,3-h]chromen-2-one2,2-Dimethyl-1,5-dioxaphenanthrene-6(2H)-one
8,8-Dimethyl-2H,8H-pyrano(2,3-F)chromen-2-oneRefChem:182576DTXCID60122813Pyranocoumarin deriv.SesalinSeselineCHEMBL713583',4'-Di-O-(-)-Camphanoyl-(+)-cis-khellactone
Database identifiers
- CAS
523-59-1- PubChem CID
- 68229
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 394
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Melting Point119 - 120 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 119 · 119-124 °C
- Boiling point
- 403 · 403.0±45.0 °C(Predicted)
- Density
- 1.351 g/cm3 · 1.351 g/cm3(Temp: 18 °C)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- A solid
- color
- White to off-white
- InChI
- 1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3
- InChIKey
- QUVCQYQEIOLHFZ-UHFFFAOYSA-N
- SMILES
- [o]1c2c(ccc3c2C=CC(O3)(C)C)cc[c]1=O
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
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesSeselin is a coumarin compound that can be isolated from the root bark of the Citropsis articulata plant. Studies show that Seselin might exhibit potential antimalarial activity and that its derivatives may exhibit antithrombotic activity.
Suppliers51 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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