Kaempferol 3-O-D-Galactoside
Basic information
- CAS
23627-87-4- Standard SMILES
O=c1c(OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12- InChIKey
JPUKWEQWGBDDQB-HBDJNLTOSA-N- Molecular formula
- C21H20O11
- Average molar mass
- 448.4 g/mol
- Monoisotopic mass
- 448.10056145
Overview
trifolin has been reported in Pergularia daemia with data available.
Names & identifiers
- Preferred name
- Kaempferol 3-O-D-Galactoside
- IUPAC
- 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- English name
- kaempferol-3-O-galactoside
- Molecular formula
- C21H20O11
- Molecular weight
- 448.38
Names & synonyms
KAEMPFEROL 3-O-D-GALACTOSIDERefChem:10879395,7-dihydroxy-2-(4-hydroxyphenyl)-3-((3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-oneUNII-7CKD5ET5SPSCHEMBL572288CHEMBL2297279BDBM50488882E80734TrifolinKaempferol 3-O-β-D-galactopyranosideTrifoliosideTrifolin【glycoside】
Show more names
Kaempferol 3-galactosidekaempferol-3-O-galactosidekaempferol3-O-β-D-galactosideKaempferol 3-galactopyranosidekaempferol 3-O-beta-D-galactosideKaempferol 3-O-β-D-galactopyranoside, 10 mM in DMSO
Database identifiers
- CAS
23627-87-4
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 719
Physicochemical properties
- Melting point
- 245 · 245-246℃
- Boiling point
- 823.2 · 823.2±65.0 °C(Predicted)
- Density
- 1.79 · 1.79±0.1 g/cm3 (20 ºC 760 Torr)
- storage temp.
- -20 °C · -20°C
- solubility
- Ethanol: soluble
- form
- A solid
- pka
- 6.2 · 6.20±0.40(Predicted)
- color
- Off-white to light yellow
- Major Application
- cell analysisclinical researchgeneral analyticallife science and biopharmametabolomics
- InChIKey
- JPUKWEQWGBDDQB-DTGCRPNFSA-N
- SMILES
- O=C1C=2C(OC(=C1O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C4=CC=C(O)C=C4)=CC(O)=CC2O
- FDA UNII
- 7 CKD5ET5SP · 7CKD5ET5SP
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
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
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H301-H350
- Precautionary statements
- P501-P270-P202-P201-P264-P280-P308+P313-P301+P310+P330-P405
Chemistry & industry
Applications
UsesKaempferol 3-O-β-D-galactopyranoside (Trifolin) is an orally active flavonoid derivative that can be found in the aerial parts of Consolida oliverana. Kaempferol 3-O-β-D-galactopyranoside exhibits antitumor and cardioprotective effects[1][2][3].
Additional notes
DefinitionChEBI: A beta-D-galactoside compound with a 4',5,7-trihydroxychromen-3-yl group at the anomeric position.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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