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Tectoridin

CAT: 0931-T3665-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T3665-04Size:25 mg
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CAS Number
611-40-5
Target
Estrogen Receptor/ERR, Reductase
Related Pathways
Metabolism, Endocrinology/Hormones
Purity
0.9948
Bioactivity
Tectoridin (Shekanin) possesses an estrogenic and thyroid hormone-like agent by activating estrogen and thyroid hormone receptors. Tectoridin has anti-oxidant, anti-inflammatory and hypoglycemic activities; Tectoridin and its five metabolites inhibits the activities of lens aldose reductase in rat (IC : 1.4-15.5 μM) .
Smiles
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O
Molecular Formula
C22H22O11
Molecular Weight
462.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tectoridin

Tectoridin is a glycosyloxyisoflavone that is tectorigenin 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 7-hydroxyisoflavones 7-O-beta-D-glucoside, a hydroxyisoflavone, a methoxyisoflavone and a monosaccharide derivative. It is functionally related to a tectorigenin.

CAS Number611-40-5
PubChem CID5281810
IUPAC Name5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular FormulaC22H22O11
Molecular Weight462.4
XLogP0.8
Topological Polar Surface Area175
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity721
SMILES
COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C22H22O11/c1-30-21-13(32-22-20(29)19(28)17(26)14(7-23)33-22)6-12-15(18(21)27)16(25)11(8-31-12)9-2-4-10(24)5-3-9/h2-6,8,14,17,19-20,22-24,26-29H,7H2,1H3/t14-,17-,19+,20-,22-/m1/s1
InChIKey
CNOURESJATUGPN-UDEBZQQRSA-N
Chemical Structure
2D Structure
2D structure of Tectoridin
CAS: 611-40-5
CID: 5281810
Formula: C22H22O11
MW: 462.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight462.4
XLogP30.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass462.11621151
Monoisotopic Mass462.11621151
Topological Polar Surface Area175 Ų
Heavy Atom Count33
Formal Charge0
Complexity721
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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