6-Demethoxytangeretin
Basic information
- CAS
6601-66-7- Standard SMILES
COc1ccc(-c2cc(=O)c3c(OC)cc(OC)c(OC)c3o2)cc1- InChIKey
DDGJUTBQQURRGE-UHFFFAOYSA-N- Molecular formula
- C19H18O6
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.11033829
Overview
6-Demethoxytangeretin is an ether and a member of flavonoids.
Names & identifiers
- Preferred name
- 6-Demethoxytangeretin
- IUPAC
- 5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
- English name
- 5,7,8,4''-Tetramethoxyflavone
- Molecular formula
- C19H18O6
- Molecular weight
- 342.34
Names & synonyms
6-Demethoxytangeretin6601-66-74',5,7,8-Tetramethoxyflavone6-Demethoxytangeritin5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-oneTetra-O-methylisoscutellarein2U2U884D0P4H-1-Benzopyran-4-one, 5,7,8-trimethoxy-2-(4-methoxyphenyl)-DTXSID20348077RefChem:26010DTXCID502991495,7,8,4'-tetramethoxyflavone
Show more names
4’,5,7,8-Tetramethoxyflavone8-Tetramethoxyflavone5,7,8,4'- tetramethoxyflavone 6-DemethoxytangeretinCluster of differentiation 246,6Demethoxytangeretin,Anaplastic lymphoma kinase (ALK),Anaplastic lymphoma kinase,6-Demethoxytangeretin,CD246,inhibit,ALK tyrosine kinase receptor,6 Demethoxytangeretin,Inhibitor
5,7,8-Trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one5,7,8,4''-TETRAMETHOXYFLAVONE5,7,8-Trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-oneUNII-2U2U884D0PTetramethylisoscutellareintetramethyl-O-isoscutellareinSCHEMBL9870206-Demethoxytangeretin [M+H]+
Database identifiers
- CAS
6601-66-7- PubChem CID
- 629964
- DTXSID
DTXSID20348077- ChEMBL
CHEMBL556454- ChEBI
CHEBI:228844- UNII
- 2U2U884D0P
- Nikkaji
- J450.690A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 496
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Melting point
- 216 · 216-217℃ (methanol )
- Boiling point
- 536.9 · 536.9±50.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in DMSO
- form
- Solid
- color
- White to off-white
- FDA UNII
- 2 U2U884D0P · 2U2U884D0P
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses6-Demethoxytangeretin is a flavonoid compound that can be isolated from Citrus reticulata. 6-Demethoxytangeretin has anti-inflammatory and anti-allergic activities and can inhibit the production of IL-6 and the expression of related genes in human mast cells through the ALK and MAPK pathways. 6-Demethoxytangeretin can promote CRE-mediated transcription in hippocampal neurons[1][2].
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Compound notes
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