Retusin (flavonol)

C₁₉H₁₈O₇CAS 1245-15-4358.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₁₈O₇
Molar mass: 358.35 g/mol
Exact mass: 358.1053 Da
Melting point: 159–160 °C
logP: 3.20Crippen estimate
Polar surface area: 87.4 Å²
H-bond donors / acceptors: 1 / 7
Rotatable bonds: 5

Identifiers

CAS number

1245-15-4

SMILES

COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1

InChIKey

HHGPYJLEJGNWJA-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all

4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-
Flavone, 5-hydroxy-3,3′,4′,7-tetramethoxy-
2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one
Retusin (ariocarpus)
Retusine
Quercetin 3,7,3′,4′-tetramethyl ether
Retusin
3,3′,4′,7-Tetramethylquercetin
5-Hydroxy-3,3′,4′,7-tetramethoxyflavone
5-Hydroxy-3,7,3′,4′-tetramethoxyflavone
NSC 61837
NSC 618937
Quercetin 3,3′,4′,7-O-tetramethyl ether
3,3′,4′,7-Tetra-O-methylquercetin
2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one

Work with Retusin (flavonol)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pachypodol33708-72-488 % similar Quercetin 3,4′-dimethyl ether33429-83-370 % similar Casticin479-91-464 % similar Chrysosplenetin603-56-564 % similar Rhamnetin90-19-763 % similar Rhamnocitrin569-92-660 % similar 3,5,6,7,8,3′,4′-Heptamethoxyflavone1178-24-160 % similar 1,8-Dihydroxy-3,7-dimethoxyxanthone22172-17-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Chrysoobtusin70588-06-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia