chempirical

Apigetrin

C21H20O10CAS 578-74-5432.38 g/mol

Open in Covalent MOL file
OOHOOOHOHOOHOHOH
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C21H20O10
Molar mass
432.38 g/mol
Exact mass
432.1056 Da
Melting point
229–232 °C
logP
0.05Crippen estimate
Polar surface area
170.1 Ų
H-bond donors / acceptors
6 / 10
Rotatable bonds
4
Stereocentres
S, R, S, S, Rin SMILES atom order

Identifiers

CAS number
578-74-5
SMILES
O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
InChIKey
KMOUJOKENFFTPU-QNDFHXLGSA-N
InChI
InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1

Weigh it out

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

Names and synonyms

21 names · show all
  • 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-
  • Cosmosiin
  • Apigenin, 7-β-D-glucopyranoside
  • 7-(β-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Cosmetin
  • Cosmosiine
  • Cosmosioside
  • 7-O-β-D-Glucopyranosylapigenin
  • Apigenin 7-O-β-D-glucopyranoside
  • Apigenin 7-β-D-glucoside
  • 7-O-β-D-Glucosylapigenin
  • Apigenin 7-O-β-D-glucoside
  • 4′,5,7-Trihydroxyflavone 7-β-D-glucoside
  • NSC 407303
  • Cosmociin
  • Cosmoside
  • Apigenin 7-O-glucoside
  • Apigenin 7-O-β-glucopyranoside
  • Apigenin 7-glucoside
  • Apigenin 7-O-β-glucoside
  • Apigenin-7-O-4C1-β-D-glucoside

Work with Apigetrin

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

Cynaroside5373-11-585 % similar Tilianin4291-60-584 % similar Rhoifolin17306-46-679 % similar Diosmetin 7-O-β-D-glucoside20126-59-477 % similar Apigenin 7-O-rutinoside552-57-874 % similar Luteolin 4′-O-glucoside6920-38-372 % similar Apigenin 7-O-glucuronide29741-09-171 % similar Kaempferol 7-O-glucoside16290-07-670 % similar

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

Same formula

3′-Hydroxypuerarin117060-54-5 Sophoricoside152-95-4 Emodin 8-O-β-D-glucopyranoside23313-21-5 Isovitexin29702-25-8 Aloe-emodin 8-O-β-D-glucopyranoside33037-46-6 Vitexin3681-93-4 Emodin 1-O-β-D-glucopyranoside38840-23-2 Isovitexin38953-85-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia