chempirical

Aromadendrin

C15H12O6CAS 480-20-6288.25 g/mol

Open in Covalent MOL file
OOHOHOHOHO
AlcoholEtherKetonePhenol

Properties

Molecular formula
C15H12O6
Molar mass
288.25 g/mol
Exact mass
288.0634 Da
Melting point
54–59 °C
Boiling point
139–140 °C
logP
1.48Crippen estimate
Polar surface area
107.2 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
1
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
480-20-6
SMILES
O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O
InChIKey
PADQINQHPQKXNL-LSDHHAIUSA-N
InChI
InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, (2R,3R)-
  • Flavanone, 3,4′,5,7-tetrahydroxy-
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, (2R-trans)-
  • (2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Aromadendrol
  • Dihydrokaempferol
  • Katuranin
  • Aromadendrine
  • (+)-Dihydrokaempferol
  • 3,4′,5,7-Tetrahydroxyflavanone
  • (+)-Aromadendrin
  • (2R,3R)-Katuranin
  • (2R,3R)-3,4′,5,7-Tetrahydroxyflavanone
  • (+)-(2R,3R)-Dihydrokaempferol

Work with Aromadendrin

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Taxifolin480-18-282 % similar Ampelopsin27200-12-076 % similar Engeletin572-31-661 % similar Silybin22888-70-659 % similar Isosilybin72581-71-659 % similar Silychristin33889-69-955 % similar Naringenin480-41-154 % similar (±)-Naringenin67604-48-254 % similar

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

Same formula

(S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7,8-dihydroxy-4H-1-benzopyran-4-one1036-49-3 5,5′-Methylenedisalicylic acid122-25-8 1,8-Dihydroxy-3,7-dimethoxyxanthone22172-17-4 Eriodictyol552-58-9

Elsewhere

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