Cas no 572-31-6 (Engeletin)

Engeletin structure
Engeletin structure
Product Name:Engeletin
CAS No:572-31-6
MF:C21H22O10
MW:434.393387317657
MDL:MFCD01632717
CID:369276
PubChem ID:6453452
Update Time:2025-04-19

Engeletin Chemical and Physical Properties

Names and Identifiers

    • 4H-1-Benzopyran-4-one,3-[(6-deoxy-a-L-mannopyranosyl)oxy]-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-,(2R,3R)-
    • (2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-chroman-4-one
    • 4H-1-Benzopyran-4-one,3-[(6-deoxy-a-L-mannopyranosyl)oxy]-2,3-dihydro-5,7-dihydroxy-2-(4-hydro...
    • Engeletin
    • Engelitin
    • 2,7-Phenanthrenediol,5-ethyl-9,10-dihydro-1,6-dimethyl
    • Dihydrojuncusol
    • (+)-(2R,3R)-Dihydrokaempferol 3-O-alpha-L-rhamnoside
    • Dihydrokaempferol 3-O-alpha-L-rhamnopyranoside
    • Dihydrokaempferol 3-rhamnoside
    • (2R,3R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside
    • [ "Engelitin" ]
    • N2269
    • (2R,3R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy
    • (2R,3R)-3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
    • Aromadendrin 3-rhamnoside
    • MEGxp0_000364
    • s9170
    • (2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
    • (2R,3R)-5,7-DIHYDROXY-2-(4-HYDROX
    • Q5377536
    • AKOS037514632
    • (2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
    • (2R,3R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)chroman-4-one
    • 572-31-6
    • DTXSID70972649
    • CS-0008955
    • (2R,3R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl alpha-L-mannopyranoside
    • SCHEMBL5575048
    • AS-75029
    • MFCD20274680
    • CCG-269060
    • HY-N0436
    • 4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2R-trans)-
    • NCGC00169295-01
    • ACon1_000852
    • AC-34264
    • 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one (2R-trans)-
    • Dihydrokaempferol-3-O-alpha-L-rhamnopyranoside
    • Isoengelitin
    • (2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3-dihydrochromen-4-one
    • Taxifolin 3-rhamnoside
    • MDL： MFCD01632717
    • Inchi： 1S/C21H22O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-25,27-28H,1H3/t8-,15-,17+,18+,19+,20-,21-/m0/s1
    • InChI Key： VQUPQWGKORWZII-WDPYGAQVSA-N
    • SMILES： O1[C@@H](C)[C@@H]([C@H]([C@H]([C@@H]1O[C@H]1C(C2C(=CC(=CC=2O[C@@H]1C1C=CC(=CC=1)O)O)O)=O)O)O)O

Computed Properties

  • Exact Mass: 450.11600
  • Monoisotopic Mass: 434.12129689 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 3
  • Complexity: 638
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 7
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 166
  • Molecular Weight: 434.4

Experimental Properties

  • Color/Form: Powder
  • Density: 1.66
  • Melting Point: 176-177 oC
  • Boiling Point: 820.0±65.0 °C at 760 mmHg
  • Flash Point: 289.5±27.8 °C
  • Solubility: 生物體外In Vitro:DMSO溶解度≥ 83.3 mg/mL(191.76 mM)*"≥" means soluble可溶, but saturation unknown溶解度未知.
  • PSA: 186.37000
  • LogP: -0.69510

Engeletin Security Information

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