chempirical

Sophoraflavanone G

C25H28O6CAS 97938-30-2424.49 g/mol

Open in Covalent MOL file
OHOHOHOOHO
AlkeneEtherKetonePhenol

Properties

Molecular formula
C25H28O6
Molar mass
424.49 g/mol
Exact mass
424.1886 Da
Melting point
178–180 °C
logP
5.31Crippen estimate
Polar surface area
107.2 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
6
Stereocentres
R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
97938-30-2
SMILES
C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O
InChIKey
XRYVAQQLDYTHCL-CMJOXMDJSA-N
InChI
InChI=1S/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27/h5,7-8,10-11,15,23,26-29H,3,6,9,12H2,1-2,4H3/t15-,23+/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-, (2S)-
  • 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-[5-methyl-2-(1-methylethenyl)-4-hexenyl]-, [S-(R*,S*)]-
  • 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexenyl]-, (2S)-
  • (2S)-2-(2,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-4H-1-benzopyran-4-one
  • (-)-Vexibinol
  • Vexibinol
  • Norkurarinone
  • Kushenol F
  • Kushnol F

Work with Sophoraflavanone G

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

Kushenol A99217-63-782 % similar 2'-O-Methylkurarinone270249-38-277 % similar Kushenol I99119-69-462 % similar 8-Prenylnaringenin53846-50-759 % similar Isoxanthohumol70872-29-649 % similar 5,7,4'-Trihydroxy-8-methylflavanone916917-28-744 % similar Isobavachin31524-62-643 % similar Bavachin19879-32-438 % similar

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

Same formula

Beta-mangostin20931-37-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia