chempirical

Isorhamnetin

C16H12O7CAS 480-19-3316.26 g/mol

Open in Covalent MOL file
OOOHOHOHOHO
EtherPhenol

Properties

Molecular formula
C16H12O7
Molar mass
316.26 g/mol
Exact mass
316.0583 Da
Melting point
305 °C (decomposes)
logP
2.29Crippen estimate
Polar surface area
120.4 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
2

Identifiers

CAS number
480-19-3
SMILES
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O
InChIKey
IZQSVPBOUDKVDZ-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3

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Names and synonyms

11 names
  • 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
  • Flavone, 3,4′,5,7-tetrahydroxy-3′-methoxy-
  • 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
  • C.I. 75680
  • Isorhamnetol
  • 3′-Methoxyquercetin
  • 3′-O-Methylquercetin
  • Quercetin 3′-methyl ether
  • 3,4′,5,7-Tetrahydroxy-3′-methoxyflavone
  • 3′-Methylquercetin
  • 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

Work with Isorhamnetin

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

Kaempferide491-54-376 % similar Geraldol21511-25-173 % similar Quercetin117-39-573 % similar Kaempferol520-18-369 % similar Quercetin dihydrate6151-25-369 % similar Quercetin 3,4′-dimethyl ether33429-83-367 % similar Rhamnocitrin569-92-666 % similar Galangin548-83-464 % similar

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

Same formula

Nepetin520-11-6 Tamarixetin603-61-2 Rhamnetin90-19-7

Elsewhere

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