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Orientin

CAT: 0607-N2460-20Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0607-N2460-20Size:20 mg
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CAS Number
28608-75-5
Product Name Alternative
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Field of Research
Natural Products
Purity
0.98
Smiles
C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O)O
Molecular Formula
C21H20O11
Molecular Weight
448.01
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Orientin

Orientin is a C-glycosyl compound that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 8. It has a role as an antioxidant and a metabolite. It is a C-glycosyl compound, a 3'-hydroxyflavonoid and a tetrahydroxyflavone. It is functionally related to a luteolin.

CAS Number28608-75-5
PubChem CID5281675
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Molecular FormulaC21H20O11
Molecular Weight448.4
XLogP-0.2
Topological Polar Surface Area197
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity729
SMILES
C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
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
InChIKey
PLAPMLGJVGLZOV-VPRICQMDSA-N
Chemical Structure
2D Structure
2D structure of Orientin
CAS: 28608-75-5
CID: 5281675
Formula: C21H20O11
MW: 448.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.4
XLogP3-0.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass448.10056145
Monoisotopic Mass448.10056145
Topological Polar Surface Area197 Ų
Heavy Atom Count32
Formal Charge0
Complexity729
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
018802Orientin

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