PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Silymarin
PCNDIDS0110
Pubchem CID : 5213
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 : SILYMARIN|Silybin|65666-07-1|Legalon|Silimarin|Flavobion|Silibin|(2R,3R)-3,5,7-trihydroxy-2-[(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one|142796-20-1|Legalon 70|802918-57-6|84604-20-6|3,5,7-trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)chroman-4-one|3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one|3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one|4H-1-Benzopyran-4-one,2-[2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-|SMR000058272|UNII-4RKY41TBTF|UNII-822I9LEJ7S|SR-01000000093|36804-17-8|CCRIS 7096|Silybin;Silibinin A;Silymarin I|Apihepar|Laragon|Silmyarin|MFCD00872186|Silibinin, INN|Silymarin,(S)|Silybin (7CI)|Silybum substance E6|MLS000028529|MLS006011786|SCHEMBL678427|DTXSID00860287|CHEBI:125451|HMS1608M08|HMS2232P05|HMS3372B20|HMS3373N17|HMS3656K09|(2S)-3,5,7-trihydroxy-2-[(2S,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one|4-Chromanone, 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxan-6-yl]-|4H-1-Benzopyran-4-one, 2-(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, 2-[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, 2-[2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-, [2R-[2.alpha.,3.beta.,6(2R*,3R*)]]-|BCP30337|Silymarin group, mixture of isomers|BBL027841|BDBM50218276|STK396325|AKOS000546856|CS-O-02368|NCGC00018179-02|NCGC00018179-03|NCGC00018179-04|NCGC00089738-02|NCGC00089738-03|3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chroman-4-one|3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one|SY067261|VS-08600|FT-0656490|FT-0674587|FT-0775414|C07610|Silybin; Silibinin A; Silymarin I; Silymarine I|SR-01000000093-5|SR-01000000093-6|SR-01000000093-7|SR-01000000093-8|SR-01000000093-9|Q27216069|B0005-464964|2-[2,3-Dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-3,5,7-trihydroxy-2,3-dihydro-4H-1-benzopyran-4-one|3,5,7-Trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-1-benzopyran-4-one

Structure
3D structure 2D structure
5213
Predicted properties (NCBI Pubchem)

Physicochemical Properties