chempirical

Karanjin

C18H12O4CAS 521-88-0292.29 g/mol

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Ether

Properties

Molecular formula
C18H12O4
Molar mass
292.29 g/mol
Exact mass
292.0736 Da
Melting point
158 °C
logP
4.21Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
521-88-0
SMILES
COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O
InChIKey
LKPQNZRGGNOPPU-UHFFFAOYSA-N
InChI
InChI=1S/C18H12O4/c1-20-18-15(19)13-7-8-14-12(9-10-21-14)17(13)22-16(18)11-5-3-2-4-6-11/h2-10H,1H3

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Names and synonyms

5 names
  • 4H-Furo[2,3-h]-1-benzopyran-4-one, 3-methoxy-2-phenyl-
  • 3-Methoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one
  • NSC 335755
  • Derisom
  • 3-Methoxy-2-phenylfuro[2,3-h]chromen-4-one

Work with Karanjin

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

Galangin 3-methyl ether6665-74-346 % similar Pimpinellin131-12-442 % similar Bergapten484-20-842 % similar Isopimpinellin482-27-940 % similar 3,5,6,7,8,3′,4′-Heptamethoxyflavone1178-24-139 % similar Visnagin82-57-536 % similar Angelicin523-50-236 % similar 6-Methoxyflavone26964-24-935 % similar

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

Elsewhere

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