chempirical

Naringin

C27H32O14CAS 10236-47-2580.54 g/mol

Open in Covalent MOL file
OOOOHOHOOOOHOHOHOHOHOH
AcetalAlcoholEtherKetonePhenol

Properties

Molecular formula
C27H32O14
Molar mass
580.54 g/mol
Exact mass
580.1792 Da
Melting point
83 °C
logP
-1.17Crippen estimate
Polar surface area
225.1 Ų
H-bond donors / acceptors
8 / 14
Rotatable bonds
6
Stereocentres
S, S, R, S, S, R, S, S, R, R, Rin SMILES atom order

Identifiers

CAS number
10236-47-2
SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey
DFPMSGMNTNDNHN-ZPHOTFPESA-N
InChI
InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/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, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-
  • 4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (S)-
  • (2S)-7-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Naringenin 7-β-neohesperidoside
  • Naringoside
  • Naringenin 7-neohesperidoside
  • (2S)-Naringin
  • 7-[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyloxy]-2,3-dihydro-4′,5,7-trihydroxyflavone
  • Naringenin 7-O-neohesperidoside
  • Aurantiin
  • NSC 5548
  • K-ALL
  • KTB 30983
  • Sanfix naringin

Work with Naringin

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

Poncirin14941-08-388 % similar Neohesperidin13241-33-383 % similar Naringin dihydrochalcone18916-17-172 % similar Didymin14259-47-366 % similar Hesperetin 7-glucoside31712-49-966 % similar Eriocitrin13463-28-066 % similar Methylhesperidin11013-97-163 % similar Hesperidin520-26-363 % similar

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

Same formula

Narirutin14259-46-2

Elsewhere

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