chempirical

Rhamnocitrin

C16H12O6CAS 569-92-6300.27 g/mol

Open in Covalent MOL file
OHOOOHOHO
EtherPhenol

Properties

Molecular formula
C16H12O6
Molar mass
300.27 g/mol
Exact mass
300.0634 Da
Melting point
220–222 °C
logP
2.59Crippen estimate
Polar surface area
100.1 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2

Identifiers

CAS number
569-92-6
SMILES
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1
InChIKey
MQSZRBPYXNEFHF-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3

Weigh it out

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Names and synonyms

10 names
  • 4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-
  • Flavone, 3,4′,5-trihydroxy-7-methoxy-
  • 3,5-Dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
  • C.I. 75650
  • 7-Methylkaempferol
  • Kaempferol 7-methyl ether
  • 3,4′,5-Trihydroxy-7-methoxyflavone
  • 7-O-Methylkaempferol
  • Kaempferol-7-O-methyl ether
  • 3,5-Dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

Work with Rhamnocitrin

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

Rhamnetin90-19-779 % similar Kaempferol520-18-372 % similar Isorhamnetin480-19-366 % similar Tamarixetin603-61-266 % similar Prunetin552-59-063 % similar Genkwanin437-64-962 % similar Retusin (flavonol)1245-15-460 % similar Pachypodol33708-72-460 % similar

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

Same formula

Hispidulin1447-88-7 Luteolin 7-methyl ether20243-59-8 Geraldol21511-25-1 Kaempferide491-54-3 Chrysoeriol491-71-4 Diosmetin520-34-3 Acetylsalicylsalicylic acid530-75-6 Tectorigenin548-77-6

Elsewhere

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