chempirical

1,8-Dihydroxy-3,7-dimethoxyxanthone

C15H12O6CAS 22172-17-4288.25 g/mol

Open in Covalent MOL file
OHOOHOOO
EtherPhenol

Properties

Molecular formula
C15H12O6
Molar mass
288.25 g/mol
Exact mass
288.0634 Da
Melting point
194–195 °C
logP
2.37Crippen estimate
Polar surface area
89.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2

Identifiers

CAS number
22172-17-4
SMILES
COc1cc(O)c2c(=O)c3c(O)c(OC)ccc3oc2c1
InChIKey
PUECEVJMPDNNHT-UHFFFAOYSA-N
InChI
InChI=1S/C15H12O6/c1-19-7-5-8(16)12-11(6-7)21-9-3-4-10(20-2)14(17)13(9)15(12)18/h3-6,16-17H,1-2H3

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Names and synonyms

11 names
  • 9H-Xanthen-9-one, 1,8-dihydroxy-2,6-dimethoxy-
  • Xanthen-9-one, 1,8-dihydroxy-2,6-dimethoxy-
  • 1,8-Dihydroxy-2,6-dimethoxy-9H-xanthen-9-one
  • Methylswertianin
  • Swertiaperennin
  • 1,3,7,8-Tetrahydroxyxanthone 3,7-dimethyl ether
  • 1,8-Dihydroxy-3,7-dimethoxyxanthen-9-one
  • 1,8-Dihydroxy-2,6-dimethoxyxanthone
  • Svercyaperenin
  • Swertiaperenine
  • 1,8-Dihydroxy-2,6-dimethoxyxanthen-9-one

Work with 1,8-Dihydroxy-3,7-dimethoxyxanthone

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

Bellidifolin2798-25-663 % similar Retusin (flavonol)1245-15-459 % similar Rhamnocitrin569-92-658 % similar Rhamnetin90-19-758 % similar Pachypodol33708-72-456 % similar Tamarixetin603-61-251 % similar Kaempferide491-54-350 % similar Casticin479-91-448 % similar

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

Same formula

(S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7,8-dihydroxy-4H-1-benzopyran-4-one1036-49-3 5,5′-Methylenedisalicylic acid122-25-8 Aromadendrin480-20-6 Eriodictyol552-58-9

Elsewhere

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