chempirical

Diosmetin

C16H12O6CAS 520-34-3300.27 g/mol

Open in Covalent MOL file
OOOHOHOHO
EtherPhenol

Properties

Molecular formula
C16H12O6
Molar mass
300.27 g/mol
Exact mass
300.0634 Da
Density
1.512 g/mL
Melting point
253.5 °C
logP
2.59Crippen estimate
Polar surface area
100.1 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
520-34-3
SMILES
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O
InChIKey
MBNGWHIJMBWFHU-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3

Weigh it out

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Names and synonyms

10 names
  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-
  • Flavone, 3′,5,7-trihydroxy-4′-methoxy-
  • 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
  • Diosmetol
  • Diosmetine
  • 3′,5,7-Trihydroxy-4′-methoxyflavone
  • Luteolin 4′-methyl ether
  • 5,7,3′-Trihydroxy-4′-methoxyflavone
  • 4′-Methylluteolin
  • Pillon

Work with Diosmetin

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

Acacetin480-44-475 % similar Tricin520-32-173 % similar Luteolin491-70-372 % similar Eupatorin855-96-969 % similar Bilobetin521-32-469 % similar 5-Hydroxy-3',4',7-trimethoxyflavone29080-58-869 % similar Apigenin520-36-567 % similar Isoginkgetin548-19-667 % similar

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

Same formula

Hispidulin1447-88-7 Luteolin 7-methyl ether20243-59-8 Geraldol21511-25-1 Kaempferide491-54-3 Chrysoeriol491-71-4 Acetylsalicylsalicylic acid530-75-6 Tectorigenin548-77-6 Rhamnocitrin569-92-6

Elsewhere

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