Isosilybin A

CAT: 0931-TN1804-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-TN1804-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

142796-21-2

Target

NF-κB, Apoptosis, p38 MAPK, Androgen Receptor, ABC Transporter, ERK, PPAR, Tyrosinase

Related Pathways

NF-κB, Endocrinology/Hormones, DNA Damage/DNA Repair, Membrane transporter/Ion channel, MAPK, Apoptosis, Metabolism, Proteases/Proteasome

Purity

0.9988

Bioactivity

Isosilybin A is a partial PPARγ agonist, it significantly induced ABCA1 protein expression, it inhibited both monophenolase (IC50=1.7-7.6μM) and diphenolase (IC50=12.1-44.9μM) of tyrosinase. Isosilybin A shows anti-angiogenic efficacy, it has anti-prostate cancer (PCA) activity that is mediated via cell cycle arrest and apoptosis induction.

Smiles

COc1cc(ccc1O)[C@H]1Oc2ccc(cc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O

Molecular Formula

C25H22O10

Molecular Weight

482.44

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Isosilybin A

Isosilybin A is a flavonolignan. It has a role as an apoptosis inducer, a PPARgamma agonist, a plant metabolite and an Aspergillus metabolite.

CAS Number	142796-21-2
PubChem CID	11059920
IUPAC Name	(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
Molecular Formula	C25H22O10
Molecular Weight	482.4
XLogP	2.4
Topological Polar Surface Area	155
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Heavy Atom Count	35
Formal Charge	0
Complexity	750

SMILES

COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=CC(=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)33-18-7-12(3-5-16(18)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-/m1/s1

InChIKey

FDQAOULAVFHKBX-HKTJVKLFSA-N

Chemical Structure

2D Structure

CAS: 142796-21-2

CID: 11059920

Formula: C25H22O10

MW: 482.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	482.4
XLogP3	2.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	482.12129689
Monoisotopic Mass	482.12129689
Topological Polar Surface Area	155 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	750
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
300505	Isosilybin
M23585-01	Isosilybin A

Isosilybin A

Chemical Information

Alternative Products

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