chempirical

Skullcapflavone ii

C19H18O8CAS 55084-08-7374.35 g/mol

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EtherPhenol

Properties

Molecular formula
C19H18O8
Molar mass
374.35 g/mol
Exact mass
374.1002 Da
logP
2.91Crippen estimate
Polar surface area
107.6 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
5

Identifiers

CAS number
55084-08-7
SMILES
COc1cccc(O)c1-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1
InChIKey
GMQFOKBGMKVUQZ-UHFFFAOYSA-N
InChI
InChI=1S/C19H18O8/c1-23-11-7-5-6-9(20)13(11)12-8-10(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3

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Names and synonyms

5 names
  • 4H-1-Benzopyran-4-one, 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxy-
  • 5-Hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one
  • Neobaicalein
  • 5,6′-Dihydroxy-6,7,8,2′-tetramethoxyflavone
  • 2′,5-Dihydroxy-6,6′,7,8-tetramethoxyflavone

Work with Skullcapflavone ii

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

5-Demethylnobiletin2174-59-665 % similar 3′-Hydroxy-4′,5,6,7,8-pentamethoxyflavone112448-39-257 % similar Wogonin632-85-951 % similar Jaceosidin18085-97-750 % similar Nobiletin478-01-350 % similar Eupatilin22368-21-449 % similar Eupatorin855-96-949 % similar Oroxylin A480-11-549 % similar

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

Same formula

Casticin479-91-4 Chrysosplenetin603-56-5

Elsewhere

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