Basic information
- CAS
74560-02-4- Standard SMILES
CC(C)(O)C1Cc2c(cc3oc(=O)ccc3c2O)O1- InChIKey
WCBFKVBQHXJRCX-UHFFFAOYSA-N- Molecular formula
- C14H14O5
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.08412354
Overview
Celereoin is a member of psoralens.
Names & identifiers
- Preferred name
- Celereoin
- IUPAC
- 4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
Names & synonyms
CelereoinLeptophyllin1-asarylethanone5-HydroxymarmesinCHEBI:174450DTXSID7011247252',4',5'-Trimethoxy-Acetophenone1-(2,4,5-Trimethoxyphenyl)-Ethanone74560-02-44-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrouro[3,2-g]chromen-7-one5-hydroxy-7-(2-hydroxypropan-2-yl)-2H,6H,7H-furo[3,2-g]chromen-2-one(-)-2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one
Show more names
4-Hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one
Database identifiers
- CAS
74560-02-4- PubChem CID
- 5315768
- DTXSID
DTXSID701124725- ChEBI
CHEBI:174450
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 416
Experimental & physicochemical properties
Melting Point201 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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