Salicortin
Basic information
- CAS
29836-41-7- Standard SMILES
O=C1CCC=CC1(O)C(=O)OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
CZDNLUMNELLDDD-QZFWYPLZSA-N- Molecular formula
- C20H24O10
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.13694696
Overview
salicortin has been reported in Salix lapponum, Salix phylicifolia, and other organisms with data available.
Names & identifiers
- Preferred name
- Salicortin
- IUPAC
- [2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
- English name
- TREMULACIN
- Molecular formula
- C27H28O11
- Molecular weight
- 528.5
Names & synonyms
salicortin29836-41-7YI29948E0Qbeta-D-Glucopyranoside, 2-((((1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl)oxy)methyl)phenyl[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylateDTXSID301318465beta-D-glucopyranoside, 2-[[[(1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl]oxy]methyl]phenyl(2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylateRefChem:884385DTXCID9017482742-Cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, (2-(beta-D-glucopyranosyloxy)phenyl)methyl ester, (1S)-2',6'-O-acetylsalicortin
Show more names
TREMULACINTREMULACINETREMULACIN USP/EP/BP2-[[[(1-Hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl]oxy]methyl]phenyl 2-O-benzoyl-β-D-glucopyranoside
UNII-YI29948E0Q2-((((1-Hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl)oxy)methyl)phenyl beta-D-glucopyranosideMEGxp0_000686SCHEMBL6888986ACon0_001466DTXSID70952264b-D-Glucopyranoside,2-[[[(1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl]oxy]methyl]phenylNCGC00380452-01
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 651
Physicochemical properties
- FDA UNII
- 29948 E0Q · YI29948E0Q
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
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
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds that inhibit or block the activity of GLYCOSIDE HYDROLASES such as ALPHA-AMYLASES and ALPHA-GLUCOSIDASES.
Applications
UsesTremulacin is used in the methods for treatment of adenoid cystic carcinoma using retinoic acid receptor agonists.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…