Genistin, Isoflavone glycoside

주요 정보

CAS 번호

529-59-9

Purity

>99%

제형

Solid

form

Molecular weight

432.4 Da

Molecular formula

C₂₁H₂₀O₁₀

PubChem

5281377

Nature

Synthetic

Solubility

Soluble in DMSO to 25 mM

생화학적 명칭

Genistin

생물학적 정보

Isoflavone glycoside. Inactive analog of Genistein. Glycoside of Genistein (ab120112). Selective terminal deoxyribonucleotidyltransferase inhibitor. Stimulates estrogen-dependent breast cancer cell growth in vivo. Orally active.

Canonical SMILES

C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O

Isomeric SMILES

C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

InChi

InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1

InChiKey

ZCOLJUOHXJRHDI-CMWLGVBASA-N

IUPAC Name

5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one