5-Hydroxy-3,7,3',4'-tetramethoxyflavone

HCID 5352005

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Basic information

CAS: 1245-15-4
Standard SMILES: COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1
InChIKey: HHGPYJLEJGNWJA-UHFFFAOYSA-N
Molecular formula: C19H18O7
Average molar mass: 358.3 g/mol
Monoisotopic mass: 358.10525291

Overview

5-hydroxy-3,3',4',7-tetramethoxyflavone is a monohydroxyflavone that is 5-hydroxyflavone which is substituted by methoxy groups at positions 3,3',4' and 7. It has a role as a plant metabolite. It is a member of 3'-methoxyflavones, a monohydroxyflavone and a tetramethoxyflavone. It is a conjugate acid of a 5-hydroxy-3,3',4',7-tetramethoxyflavone(1-).

Names & identifiers

Preferred name: 5-Hydroxy-3,7,3',4'-tetramethoxyflavone
IUPAC: 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one
English name: Quercetin-3,7,3',4'-tetramethyl ether
Molecular formula: C19H18O7
Molecular weight: 358.34

Names & synonyms

Retusin1245-15-4Quercetin 3,7,3',4'-tetramethyl ether5-hydroxy-3,7,3',4'-tetramethoxyflavone2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one3,3',4',7-Tetramethylquercetin5-Hydroxy-3,3',4',7-tetramethoxyflavone2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-oneNSC-61837Flavone, 5-hydroxy-3,3',4',7-tetramethoxy-4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-M8591903SD

Show more names

NSC618937RETRORSINE(SH)Einecs 214-991-4QUERCETINTETRAMETHYLETHERRutoside Trihydrate Impurity 93,7,3',4'-Tetra-O-methylquercetin

NSC-618937CHEBI:144861RefChem:913415DTXCID20371345DTXSID30420499Quercetin-3,7,3',4'-tetramethyl etherRetusin (Ariocarpus)Retusine (Ariocarpus)

Database identifiers

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 83.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 546

Experimental & physicochemical properties

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]

Collision Cross Section · 2 items

180.8 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

171.5 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physicochemical properties

Melting point: 156 · 156-161°C
storage temp.: -20 °C · Store at -20°C
solubility: Soluble in DMSO
form: Solid
color: Light yellow to yellow
Major Application: food and beverages
InChI: 1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3
InChIKey: HHGPYJLEJGNWJA-UHFFFAOYSA-N
SMILES: [o]1c2c([c](c(c1c3cc(c(cc3)OC)OC)OC)=O)c(cc(c2)OC)O

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
Storage Class: 11 - Combustible Solids

Chemistry & industry

Applications

Usesfood and beverages

Upstream & downstream products

Downstream products

2-(3,4-Dimethoxy-phenyl)-5,7-dihydroxy-3-methoxy-chromen-4-one pachypodol 3,4'-Dimethoxy-3',5,7-trihydroxyflavone 4',7-Dimethoxy-3,3',5-trihydroxyflavone AYANIN 3,7,3',4'-Tetramethylgossypetin

Suppliers70 total

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]

銘瑞集團有限公司17318633522 · [email protected]

成都彼样生物科技有限公司18108052721 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Related reactions

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Compound notes

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