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Chemical structure of Silybin B

GC37639

Silybin B

Also known as (2R,3R)-3,5,7-trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one

Silybin B, a flavonolignan separated from Silybum marianum, has anti-tumor activity

ChemicalCAS142797-34-0MW482.44FormulaC25H22O10
CAS number
142797-34-0
Molecular weight
482.44
Formula
C25H22O10
Solubility
DMSO ： 250 mg/mL (518·20 mM; Need ultrasonic)
InChIKey
SEBFKMXJBCUCAI-WAABAYLZSA-N
Catalogue number
GC37639
Brand
GLPBIO
Computed properties PubChem CID 1548994 · XLogP 2.4 · TPSA 155 Ų · H-bond donors 5
XLogP
2.4
TPSA
155 Ų
H-bond donors
5
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
35

SMILES COC1=C(C=CC(=C1)[C@H]2[C@@H](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

Computed descriptors from PubChem (CID 1548994), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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