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Iridin

CAT: 0013-GTR19159170-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159170-01Size:100 mg
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Description
Iridin is major active ingredient of Iris dichotoma which could be used as the drug for pain, inflammation treatment.
CAS Number
491-74-7
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (191.40 mM)
Smiles
COc1cc (cc (c1OC) O) c1coc2cc (c (c (c2c1=O) O) OC) O[C@H]1[C@@H] ([C@H] ([C@@H] ([C@H] (O1) CO) O) O) O
Molecular Formula
C24H26O13
Molecular Weight
522.46
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Iridin

Iridin is a glycosyloxyisoflavone that is irigenin substituted by a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has a role as a plant metabolite. It is a member of 4'-methoxyisoflavones, a 7-hydroxyisoflavones 7-O-beta-D-glucoside, a hydroxyisoflavone and a monosaccharide derivative. It is functionally related to an irigenin.

CAS Number491-74-7
PubChem CID5281777
IUPAC Name5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular FormulaC24H26O13
Molecular Weight522.5
XLogP0.8
Topological Polar Surface Area194
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity822
SMILES
COC1=CC(=CC(=C1OC)O)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C24H26O13/c1-32-13-5-9(4-11(26)22(13)33-2)10-8-35-12-6-14(23(34-3)19(29)16(12)17(10)27)36-24-21(31)20(30)18(28)15(7-25)37-24/h4-6,8,15,18,20-21,24-26,28-31H,7H2,1-3H3/t15-,18-,20+,21-,24-/m1/s1
InChIKey
LNQCUTNLHUQZLR-OZJWLQQPSA-N
Chemical Structure
2D Structure
2D structure of Iridin
CAS: 491-74-7
CID: 5281777
Formula: C24H26O13
MW: 522.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.5
XLogP30.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass522.13734088
Monoisotopic Mass522.13734088
Topological Polar Surface Area194 Ų
Heavy Atom Count37
Formal Charge0
Complexity822
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

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