Lindleyin
Basic information
- CAS
59282-56-3- Standard SMILES
CC(=O)CCc1ccc(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)cc1- InChIKey
BJYRNIFAMMOVGW-OXUVVOBNSA-N- Molecular formula
- C23H26O11
- Average molar mass
- 478.4 g/mol
- Monoisotopic mass
- 478.14751164
Overview
Lindleyin is a glycoside.
Names & identifiers
- Preferred name
- Lindleyin
- IUPAC
- [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
- English name
- LINDLEYIN
- Molecular formula
- C23H26O11
- Molecular weight
- 478.45
Names & synonyms
Lindleyin59282-56-3[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate4-(4'-Hydroxyphenyl)-2-butanone-4'-O-beta-D-(6''-O-gallyl)glucopyranoside((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-(3-oxobutyl)phenoxy)oxan-2-yl)methyl 3,4,5-trihydroxybenzoateRefChem:153521BRN 1672532CHEBI:169434DTXSID60974718AC-34407CS-0022674Benzoic acid, 3,4,5-trihydroxy-, 6'-ester with 4-(4-(beta-D-glucopyranosyloxy)phenyl)-2-butanone
Show more names
LINDLEYIN USP/EP/BPLindleyin, 10 mM in DMSOLindleyin,Inhibitor,Estrogen Receptor/ERR,inhibit4-(3-Oxobutyl)phenyl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyran oside2-Butanone, 4-[4-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]phenyl]-4-[4-[[6-O-(3,4,5-Trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]phenyl]-2-butanone
4-(3-Oxobutyl)phenyl 6-O-(3,4,5-trihydroxybenzoyl)hexopyranoside((2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(3-oxobutyl)phenoxy)tetrahydro-2H-pyran-2-yl)methyl 3,4,5-trihydroxybenzoate(4-(4'-Hydroxyphenyl)-2-butanone-4'-O-beta-D-(6''-O-gallyl)glucopyranoside)orb1220067orb1297583CHEMBL4205713SCHEMBL29684827HY-N2448
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 668
Physicochemical properties
- Boiling point
- 785.4 · 785.4±60.0 °C(Predicted)
- Density
- 1.497 · 1.497±0.06 g/cm3(Predicted)
- pka
- 7.84 · 7.84±0.25(Predicted)
- form
- Solid
- color
- White to off-white
- InChIKey
- TWTREYLUQKYYMM-HPEVTLTNNA-N
- SMILES
- [C@@H]1([C@H](O)[C@H]([C@H](O)[C@@H](COC(=O)C2=CC(=C(O)C(O)=C2)O)O1)O)OC1=CC=C(OCCC(=O)C)C=C1 |&1:0,1,3,4,6,r|
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
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
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesLindleyin is one of the main components in Aeoniumtabuliformef.cristata, and it has an effects on the cardiovascular system, hypoglycemic and hypolipidemic effects, anti-pathogenic microorganism effects, and antipyretic effects.
Additional notes
DefinitionChEBI: Lindleyin is a glycoside.
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