| Identification | Back Directory | [Name]
Isosilybin A | [CAS]
142796-21-2 | [Synonyms]
Silybin b2
Isosilybin A
Isosilibinin A
Isosilybin A，ISB-A
Isosilybin A/(+)-Isosilybin A,Silybin b2
(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
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)- | [Molecular Formula]
C25H22O10 | [MDL Number]
MFCD32182560 | [MOL File]
142796-21-2.mol | [Molecular Weight]
482.44 |
| Chemical Properties | Back Directory | [Melting point ]
158-160 °C(Solv: methanol (67-56-1)) | [Boiling point ]
793.0±60.0 °C(Predicted) | [density ]
1.527±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
Soluble in DMSO | [form ]
neat | [pka]
7.39±0.60(Predicted) | [color ]
White to off-white | [InChIKey]
FDQAOULAVFHKBX-HKTJVKLFSA-N | [SMILES]
[C@H]1(C2=CC=C3O[C@H](C4=CC=C(O)C(OC)=C4)[C@@H](CO)OC3=C2)OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1O |
| Hazard Information | Back Directory | [Uses]
Isosilybin A is one of the flavonolignans extracted from the seeds of milk thistle. Isosilybin A and isosilybin B (I109003) were also the most effective suppressors of prostate-?specific antigen secretion by androgen-?dependent LNCaP cells. |
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