chempirical

Orientin

C21H20O11CAS 28608-75-5448.38 g/mol

Open in Covalent MOL file
OOHOHOOOHOHHOHOHOOH
AlcoholEtherPhenol

Properties

Molecular formula
C21H20O11
Molar mass
448.38 g/mol
Exact mass
448.1006 Da
Melting point
283 °C (decomposes)
logP
-0.20Crippen estimate
Polar surface area
201.3 Ų
H-bond donors / acceptors
8 / 11
Rotatable bonds
3
Stereocentres
S, R, S, R, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
28608-75-5
SMILES
O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12
InChIKey
PLAPMLGJVGLZOV-VPRICQMDSA-N
InChI
InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1

Weigh it out

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Names and synonyms

10 names
  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-β-D-glucopyranosyl-5,7-dihydroxy-
  • 2-(3,4-Dihydroxyphenyl)-8-β-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Luteolin 8-C-β-D-glucopyranoside
  • Luteolin 8-C-glucoside
  • Lutexin
  • Orientin (flavone)
  • 8-β-D-Glucopyranosyl-3′,4′,5,7-tetrahydroxyflavone
  • Luteolin-8-glucoside
  • Luteolin 8-C-β-glucopyranoside
  • Luteolin-8-C-glucoside

Work with Orientin

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

Vitexin3681-93-484 % similar 2-(3,4-Dihydroxyphenyl)-8-(2-O-beta-L-galactopyranosyl-beta-D-glucopyranosyl)-5,7-dihydroxy-4H-1-benzopyran-4-one861691-37-484 % similar (1S)-1,5-Anhydro-1-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl)-4-O-beta-D-glucopyranosyl-D-glucitol178468-00-373 % similar Vitexin 2''-O-rhamnoside64820-99-165 % similar Isovitexin29702-25-865 % similar Isovitexin38953-85-465 % similar Isomangiferin24699-16-962 % similar Lancerin81991-99-357 % similar

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

Same formula

Kaempferol 7-O-glucoside16290-07-6 Galuteolin20344-46-1 Quercetin 7-O-rhamnoside22007-72-3 Isoorientin4261-42-1 Astragalin480-10-4 Quercitrin522-12-3 Cynaroside5373-11-5 Luteolin 4′-O-glucoside6920-38-3

Elsewhere

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