chempirical

Oroxindin

C22H20O11CAS 51059-44-0460.39 g/mol

Open in Covalent MOL file
OOOOOHOHOHHOOHOO
AcetalAlcoholCarboxylic acidEtherPhenol

Properties

Molecular formula
C22H20O11
Molar mass
460.39 g/mol
Exact mass
460.1006 Da
Melting point
228–229 °C
logP
0.45Crippen estimate
Polar surface area
176.1 Ų
H-bond donors / acceptors
5 / 10
Rotatable bonds
5
Stereocentres
S, S, S, S, Rin SMILES atom order

Identifiers

CAS number
51059-44-0
SMILES
COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(-c3ccccc3)oc12
InChIKey
LNOHXHDWGCMVCO-NTKSAMNMSA-N
InChI
InChI=1S/C22H20O11/c1-30-18-13(32-22-17(27)15(25)16(26)20(33-22)21(28)29)8-11(24)14-10(23)7-12(31-19(14)18)9-5-3-2-4-6-9/h2-8,15-17,20,22,24-27H,1H3,(H,28,29)/t15-,16-,17+,20-,22+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • β-D-Glucopyranosiduronic acid, 5-hydroxy-8-methoxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl
  • 5-Hydroxy-8-methoxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid
  • Wogonoside
  • Wogonin 7-β-D-glucuronide
  • Wogonin 7-glucuronide
  • Wogonin 7-O-glucuronide
  • Wogonin 7-O-β-D-glucuronide
  • Wogonin 7-O-β-D-glucuronopyranoside
  • Glychionide B

Work with Oroxindin

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

Baicalin21967-41-964 % similar Apigenin 7-O-glucuronide29741-09-157 % similar Wogonin632-85-957 % similar Scutellarin27740-01-855 % similar Luteolin 7-O-glucuronide29741-10-455 % similar Scutellarin methylester119262-68-947 % similar Nepitrin569-90-447 % similar Homoplantaginin17680-84-146 % similar

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

Same formula

Oroxylin A 7-O-glucuronide36948-76-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia