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

C₁₈H₁₆O₆CAS 29080-58-8328.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₆O₆
Molar mass: 328.32 g/mol
Exact mass: 328.0947 Da
logP: 3.19Crippen estimate
Polar surface area: 78.1 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

29080-58-8

SMILES

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)OC

InChIKey

HIXDQWDOVZUNNA-UHFFFAOYSA-N

InChI

InChI=1S/C18H16O6/c1-21-11-7-12(19)18-13(20)9-15(24-17(18)8-11)10-4-5-14(22-2)16(6-10)23-3/h4-9,19H,1-3H3

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Names and synonyms

1 names

Gonzalitosin I

Work with 5-Hydroxy-3',4',7-trimethoxyflavone

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

Luteolin 7-methyl ether20243-59-879 % similar 5,7,3',4'-Tetramethoxyflavone855-97-078 % similar Genkwanin437-64-975 % similar Techtochrysin520-28-573 % similar Eupatilin22368-21-469 % similar Sciadopitysin521-34-669 % similar Chrysoeriol491-71-469 % similar Diosmetin520-34-369 % similar

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

Elsewhere

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