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(±) -Silybin

CAT: 0931-TN7290-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7290-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36804-17-8
Target
Others, Apoptosis
Related Pathways
Others, Apoptosis
Bioactivity
(±) -Silybin, a racemate of Silybin, demonstrates a range of biological activities including inducing apoptosis and possessing hepatoprotective, antioxidant, anti-inflammatory, and anti-cancer properties [1] [2].
Smiles
C(O)[C@@H]1[C@H](OC=2C(O1)=CC=C(C2)[C@H]3OC=4C(C(=O)[C@@H]3O)=C(O)C=C(O)C4)C5=CC(OC)=C(O)C=C5
Molecular Formula
C25H22O10
Molecular Weight
482.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Silybin (mixture of Silybin A and Silybin B)
CAS Number36804-17-8
PubChem CID3086637
IUPAC Name(2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
Molecular FormulaC25H22O10
Molecular Weight482.4
XLogP2.4
Topological Polar Surface Area155
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity750
SMILES
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
InChI
InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20?,23-,24?,25+/m0/s1
InChIKey
SEBFKMXJBCUCAI-DBMPWETRSA-N
Chemical Structure
2D Structure
2D structure of Silybin (mixture of Silybin A and Silybin B)
CAS: 36804-17-8
CID: 3086637
Formula: C25H22O10
MW: 482.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.4
XLogP32.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass482.12129689
Monoisotopic Mass482.12129689
Topological Polar Surface Area155 Ų
Heavy Atom Count35
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
LBA80417-01Silybin (of silybin A and silybin B)
BA2799-25Silybin
AB2570Silybin A
sc-506103Silybin mixture of Silybin A and B
AR-S11178-01(±) -Silybin

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