PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Silibinin B
PCNDIDS0107
Pubchem CID : 1548994
Molecular formula: C25H22O10

Molecular weight : 482.400

Canonical SMILES : COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O

Synonymes : Silybin B|Silibinin B|142797-34-0|SILYMARIN|65666-07-1|UNII-853OHH1429|Flavobion|Legalon|(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|DTXSID30858697|Legalon 70|853OHH1429|(2R,3R)-3,5,7-trihydroxy-2-((2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)chroman-4-one|CCRIS 7096|308831-37-0|4H-1-BENZOPYRAN-4-ONE, 2-((2S,3S)-2,3-DIHYDRO-3-(4-HYDROXY-3-METHOXYPHENYL)-2-(HYDROXYMETHYL)-1,4-BENZODIOXIN-6-YL)-2,3-DIHYDRO-3,5,7-TRIHYDROXY-, (2R,3R)-|rel-(2R,3R)-3,5,7-Trihydroxy-2-((2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)chroman-4-one|UNII-822I9LEJ7S|Silybin A and B|4H-1-Benzopyran-4-one, 2-[(2S,3S)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-|Milk thistle [NF]|Silymarin + Melatonin|SILYBIN B [MI]|D0C5VQ|UNII-U946SH95EE|SCHEMBL751461|Silybin B, analytical standard|CHEMBL592675|DTXCID703580|U946SH95EE|PRX-321|HY-N7046|BDBM50088491|AKOS015912848|MS-28965|CS-0101839|SILYBIN B (CONSTITUENT OF MILK THISTLE)|J-505458|Q27269584|SILYBIN B (CONSTITUENT OF MILK THISTLE) [DSC]|(2r,3r)-2-[(2s,3s)-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-4h-1-benzopyran-4-one|(2R,3R)-3,5,7-trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chroman-4-one|(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-dihydro-4H-chromen-4-one|2-(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

Structure
3D structure 2D structure
1548994
Predicted properties (NCBI Pubchem)

Physicochemical Properties