chempirical

Tectorigenin

C16H12O6CAS 548-77-6300.27 g/mol

Open in Covalent MOL file
OHOOOHOOH
EtherPhenol

Properties

Molecular formula
C16H12O6
Molar mass
300.27 g/mol
Exact mass
300.0634 Da
Melting point
227 °C
logP
2.59Crippen estimate
Polar surface area
100.1 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
548-77-6
SMILES
COc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O
InChIKey
OBBCRPUNCUPUOS-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3

Weigh it out

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

Names and synonyms

6 names
  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-
  • Isoflavone, 4′,5,7-trihydroxy-6-methoxy-
  • 5,7-Dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
  • K 251T
  • Tectrigenin
  • 5,7,4′-Trihydroxy-6-methoxyisoflavone

Work with Tectorigenin

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

Irigenin548-76-573 % similar Prunetin552-59-069 % similar Glycitein40957-83-362 % similar Biochanin A491-80-562 % similar Genistein446-72-061 % similar 5-Hydroxy-4',7-dimethoxyisoflavone34086-51-658 % similar Tectoridin611-40-558 % similar 6,7,4′-Trihydroxyisoflavone17817-31-156 % 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 Rhamnocitrin569-92-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia