CAS 90-19-7|beta-Rhamnocitrin|Quercetin 7-methyl ether|7-Methylquercetin|Rhamnetin|2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one|7-O-Methylquercetin|7-Methoxyquercetin|rhamnetin|鼠...

General Information

Structure

Molecular Formula

C₁₆H₁₂O₇

Molecular Mass

316.26228

Exact Mass

316.05830272

Charge

InChI

InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3

InChIKey

JGUZGNYPMHHYRK-UHFFFAOYSA-N

Canonic Smiles

COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O

Isomeric Smiles

COc1cc(c2c(c1)oc(c(c2=O)O)c1cc(c(cc1)O)O)O

Calculated Properties

JChem

Acid pKa

8.023193

H Acceptors

H Donor

LogD (pH = 5.5)

2.3009005

LogD (pH = 7.4)

2.2063975

Log P

2.3021934

Molar Refractivity

81.3445

Polarizability

30.311293

Polar Surface Area

116.45

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

beta-RhamnocitrinQuercetin 7-methyl ether7-MethylquercetinRhamnetin7-O-Methylquercetin7-Methoxyquercetin鼠李亭RhamnetinC.I. 75690LY 805921β-Rhamnocitrin3,5,3',4'-Tetrahydroxy-7-methoxyflavoneRhamnetinNSC 198027-O-Methyl Quercetin3,3',4',5-Tetrahydroxy-7-methoxyflavone2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-y-methoxy-4H-1-benzopyran-4-one

IUPAC name

2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one

IUPAC Traditional name

rhamnetin

Names and Identifiers

Registration numbers

Wikipedia Title

Rhamnetin

CAS Number

90-19-7

PubChem CID

5281691