Cas no 61383-35-5 (Isoorientin)

Isoorientin structure
Isoorientin structure
Product Name:Isoorientin
CAS No:61383-35-5
MF:C21H20O11
MW:448.376907348633
CID:5579382
PubChem ID:114776
Update Time:2023-10-11

Isoorientin Chemical and Physical Properties

Names and Identifiers

    • 2-(3,4-Dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one
    • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-
    • Luteolin-6-C-beta-D-glucoside
    • luteolin-6-C-B-D-glucopyranoside
    • iso-orientin
    • s9248
    • LUTONARETIN
    • Luteolin-6-C-glucoside
    • Lespecapitioside
    • AKOS015896766
    • NCGC00163566-01
    • C01821
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
    • CHEMBL239559
    • UNII-A37342TIX1
    • 6-Glc-luteolin
    • Homoori-entin
    • HMS2225D20
    • MFCD00017433
    • 6C-hexosyl luteolin
    • 4261-42-1
    • Homoorientin; Isoorientin
    • Isoorientin, >=98% (HPLC)
    • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-.beta.-D-glucopyranosyl-5,7-dihydroxy-
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
    • CS-7515
    • I1087
    • Isoorientin
    • Homoorientin
    • Luteolin 6-C-glucoside
    • BDBM50487756
    • Isoorientin, >=98.0% (HPLC)
    • Q3155592
    • Q-100474
    • A37342TIX1
    • HY-N0767
    • ODBRNZZJSYPIDI-VJXVFPJBSA-N
    • SCHEMBL23761
    • 2-[3,4-bis(oxidanyl)phenyl]-6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one
    • Luteolin 6-C-bet.-D-glucoside
    • H9R
    • CHEBI:17965
    • CCG-208392
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-one
    • MLS002473101
    • 61383-35-5
    • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-4H-chromen-4-one
    • (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol
    • Isoorientin, analytical standard
    • Isoorientin, primary pharmaceutical reference standard
    • DTXSID50962609
    • (1S)-1,5-anhydro-1-(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl)-D-glucitol
    • AS-56302
    • SMR001397203
    • AC-34983
    • Inchi： 1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1
    • InChI Key： ODBRNZZJSYPIDI-VJXVFPJBSA-N
    • SMILES： O1[C@H](CO)[C@H]([C@@H]([C@H]([C@@H]1C1C(=CC2=C(C(C=C(C3C=CC(=C(C=3)O)O)O2)=O)C=1O)O)O)O)O

Computed Properties

  • Exact Mass: 448.10056145g/mol
  • Monoisotopic Mass: 448.10056145g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 3
  • Complexity: 729
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.2
  • Topological Polar Surface Area: 197?2

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