chempirical

Visnagin

C13H10O4CAS 82-57-5230.22 g/mol

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Ether

Properties

Molecular formula
C13H10O4
Molar mass
230.22 g/mol
Exact mass
230.0579 Da
Melting point
144.5 °C
logP
2.86Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
82-57-5
SMILES
COc1c2ccoc2cc2oc(C)cc(=O)c12
InChIKey
NZVQLVGOZRELTG-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3

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Names and synonyms

8 names
  • 5H-Furo[3,2-g][1]benzopyran-5-one, 4-methoxy-7-methyl-
  • 4-Methoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one
  • Desmethoxykhellin
  • 5-Methoxy-2-methyl-6,7-furanochrome
  • 5-Methoxy-2-methylfuranochromone
  • Visnagidin
  • Visnagine
  • NSC 100593

Work with Visnagin

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

Khellin82-02-065 % similar Bergapten484-20-854 % similar Noreugenin1013-69-041 % similar 5,6,7-Trimethoxy-2-phenyl-4H-1-benzopyran-4-one973-67-141 % similar Sinensetin2306-27-640 % similar Isopimpinellin482-27-937 % similar Pimpinellin131-12-437 % similar 5,7,4′-Trimethoxyflavone5631-70-936 % similar

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

Same formula

2,3,4-Trihydroxybenzophenone1143-72-2 2,4,4′-Trihydroxybenzophenone1470-79-7 6-(Acetyloxy)-2-naphthalenecarboxylic acid17295-26-0

Elsewhere

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