Arisanschinin K
Basic information
- CAS
58546-56-8- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)CC(C)C(C)(O)C2OC(=O)c1ccccc1- InChIKey
UFCGDBKFOKKVAC-UHFFFAOYSA-N- Molecular formula
- C30H32O9
- Average molar mass
- 536.6 g/mol
- Monoisotopic mass
- 536.20463259
Overview
arisanschinin K has been reported in Schisandra sphenanthera, Schisandra arisanensis, and Schisandra chinensis with data available.
Names & identifiers
- Preferred name
- Arisanschinin K
- IUPAC
- (9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl) benzoate
- English name
- Schisantherin A
- Molecular formula
- C30H32O9
- Molecular weight
- 536.57
Names & synonyms
Arisanschinin KSCHISANTERIN ANSC330516SchisantherinC30H32O9gomisin C [M+H]+orb1304851orb1683086orb1684233orb3140728CHEMBL1704343SCHEMBL30506603
Show more names
Gomisin C(P)Schisantherin ASchisantherin A-RMSCHISANTHERINGOMISINGomisin C(Schisantherin A)Schisantherin A (Gomisin-CSchisantherin A (Standard)SCHISANTHERIN A 98.0% BY HPLCGomisin, 98%, from Schisandra chinensis(5S,6S,7S,13aS)-5,6,7,8-Tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethylbenzo[3,4]cycloocta[1,2-f]
UFCGDBKFOKKVAC-UHFFFAOYSA-NHMS3885I10EFA44543Schisantherin A, >=98% (HPLC)s3880TN2187TN3494AKOS040760696
Database identifiers
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 833
Physicochemical properties
- Melting point
- 110 · 110~112℃
- Boiling point
- 675.6 · 675.6±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform (Slightly), Methanol (Slightly, Sonicated)
- pka
- 13.7 · 13.70±0.60(Predicted)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- insoluble in water
- Major Application
- food and beverages
- InChIKey
- UFCGDBKFOKKVAC-UHFFFAOYSA-N
- SMILES
- CC1(O)C(C)CC2=CC(OCO3)=C3C(OC)=C2C4=C(C=C(OC)C(OC)=C4OC)C1OC(C5=CC=CC=C5)=O
- FDA UNII
- 873480 KS4A · 873480KS4A
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
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
- hs_code
- 29329990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesSchisantherin Ais a ligand from Schisandra chinensis. It is capable ofsuppressing interleukin-1β-induced inflammation in human chondrocytes by inhibiting NF-κB and MAPKs activation.
Additional notes
DefinitionChEBI: Schisantherin A is a tannin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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