- Preparative method for isosilybin isolation based on enzymatic kinetic resolution of silymarin mixtureBy Gazak, Radek et al, Process Biochemistry (Oxford, 2013, 48(1), 184-189
Cas no 142796-21-2 (Isosilybin A)
Isosilybin A is a flavonolignan compound derived from milk thistle (Silybum marianum), known for its hepatoprotective and antioxidant properties. As a stereoisomer of silybin, it exhibits enhanced bioavailability and selective biological activity compared to other silymarin constituents. Research indicates its potential in modulating oxidative stress, inflammation, and cellular signaling pathways, particularly in liver-related applications. Isosilybin A demonstrates superior free radical scavenging capacity and may inhibit lipid peroxidation more effectively than related compounds. Its distinct molecular configuration contributes to improved metabolic stability and targeted interactions with biological systems, making it valuable for pharmacological and nutraceutical research focused on liver health and oxidative damage mitigation.
Isosilybin A structure
Product Name:Isosilybin A
CAS No:142796-21-2
MF:C25H22O10
MW:482.436188220978
CID:2075505
PubChem ID:11059920
Update Time:2025-05-22
Isosilybin A Chemical and Physical Properties
Names and Identifiers
-
- Silybin
- (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
- ISOSILYBIN A
- (2R,3R)-3,5,7-Trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydrobenzo[1,4]dioxin-6-yl]-4-chromanone
- (2R,3R)-2-[(2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one
- Isosilibinin A
- DTXSID20453675
- HHN3Q9H3DK
- ISOSILYBIN A (CONSTITUENT OF MILK THISTLE) [DSC]
- 4H-1-Benzopyran-4-one, 2-((2R,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-
- HY-N7043
- (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-dihydro-4H-1-benzopyran-4-one
- ISOSILYBIN A [MI]
- 1ST166036
- (+)-isosilybin A
- (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-dihydro-4H-chromen-4-one
- E88732
- CS-0101837
- UNII-HHN3Q9H3DK
- Iso-silybin A
- 142796-21-2
- SCHEMBL20152105
- Isosilybin A + B
- (2R,3R)-3,5,7-Trihydroxy-2-((2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)chroman-4-one
- 7-(4-bromobenzoyl)isosilybin A
- Q27279939
- CHEBI:205528
- CHEMBL592676
- BDBM50526629
- AKOS040760487
- ISOSILYBIN A (CONSTITUENT OF MILK THISTLE)
- Silybin B2
- MS-28966
- DA-64572
- Isosilybin A (Standard)
- 4H-1-Benzopyran-4-one, 2-[(2R,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5, 7-trihydroxy-;4H-1-Benzopyran-4-one 2-[(2R3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodiox
- HY-N7043R
- XI181096
- Isosilybin A
-
- 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
- InChI Key： FDQAOULAVFHKBX-HKTJVKLFSA-N
- SMILES： O1C2C=C(C=CC=2O[C@H](C2C=CC(=C(C=2)OC)O)[C@H]1CO)[C@@H]1[C@H](C(C2C(=CC(=CC=2O1)O)O)=O)O
Computed Properties
- Exact Mass: 482.12129689g/mol
- Monoisotopic Mass: 482.12129689g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 35
- Rotatable Bond Count: 4
- Complexity: 750
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 155?2
Experimental Properties
- Color/Form: Powder
- Density: 1.527±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 201-203 oC (methanol water )
- Solubility: Insuluble (1.1E-3 g/L) (25 oC),
Isosilybin A Security Information
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
Isosilybin A Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| MedChemExpress | HY-N7043-10mM*1mLinDMSO |
Isosilybin A |
142796-21-2 | 99.51% | 10mM*1mLinDMSO |
￥3715 | 2023-07-26 | |
| MedChemExpress | HY-N7043-1mg |
Isosilybin A |
142796-21-2 | 99.63% | 1mg |
￥2000 | 2024-07-21 | |
| MedChemExpress | HY-N7043-5mg |
Isosilybin A |
142796-21-2 | 99.63% | 5mg |
￥3500 | 2024-07-21 | |
| ChemScence | CS-0101837-1mg |
Isosilybin A |
142796-21-2 | ≥99.0% | 1mg |
$100.0 | 2022-04-27 | |
| ChemScence | CS-0101837-5mg |
Isosilybin A |
142796-21-2 | ≥99.0% | 5mg |
$250.0 | 2022-04-27 | |
| TRC | I901002-1mg |
Isosilybin A |
142796-21-2 | 1mg |
$150.00 | 2023-05-18 | ||
| TRC | I901002-5mg |
Isosilybin A |
142796-21-2 | 5mg |
$603.00 | 2023-05-18 | ||
| TRC | I901002-10mg |
Isosilybin A |
142796-21-2 | 10mg |
$1154.00 | 2023-05-18 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 97326-5MG |
Isosilybin A |
142796-21-2 | 5mg |
￥13364.16 | 2023-04-25 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | PHL82570-5MG |
Isosilybin A |
142796-21-2 | 5mg |
￥4499.24 | 2024-12-26 |
Isosilybin A Production Method
Production Method 1
Reaction Conditions
1.1C:1435939-45-9, S:Me2CO, 24 h, 45°C
Reference
Isosilybin A Raw materials
Isosilybin A Preparation Products
- Taxifolin (480-18-2)
- Silychristin (33889-69-9)
- Silybin A (22888-70-6)
- Isosilybin B (142796-22-3)
- 23-O-acetylsilybin A (1220986-69-5)
- Silydianin (29782-68-1)
- (2R,3R)-2-[(2R,3R)-3-[(Acetyloxy)methyl]-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one (1516881-20-1)
- (2R,3R)-2-[(2S,3S)-3-[(Acetyloxy)methyl]-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one (1516881-22-3)
- Isosilybin A (142796-21-2)
- Silybin B (142797-34-0)
Isosilybin A Related Literature
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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