| Phytochemical Name : Puerarin |
| PCNDIDP0214 |
| Pubchem CID : 5281807 |
| Molecular formula: C21H20O9 |
| Canonical SMILES : C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O |
Synonymes : Puerarin|3681-99-0|Kakonein|Daidzein-8-C-glucoside|7-hydroxy-3-(4-hydroxyphenyl)-8-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-4H-chromen-4-one|Puerarin 80 mm|CHEBI:8633|NPI 031G|Daidzein 8-c-glucoside|7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one|UNII-Z9W8997416|NSC 380711|NSC-380711|7,4'-Dihydroxy-8-C-glucosylisoflavone|BRN 0064198|Z9W8997416|Puerarin, analytical standard|4-19-00-03200 (Beilstein Handbook Reference)|8-beta-D-Glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|4H-1-Benzopyran-4-one, 8-beta-D-glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)-|AC1NQZ4N|MFCD00063399|8-C-glucoside|8-Glucosyldaidzein|8-Glucopyranosyldaidzein|PUERARIN [INCI]|D0I7MT|PUERARIN [WHO-DD]|SureCN8581666|MLS002473178|BIDD:ER0101|CHEMBL486386|SCHEMBL8581666|GTPL12553|HKEAFJYKMMKDOR-VPRICQMDSA-|NPI-031-G|DTXSID30958020|HMS2198M10|Puerarin, >=98.0% (HPLC)|HY-N0145|BDBM50129558|AKOS007930376|AKOS015965556|CS-6158|DB12290|KS-5191|Puerarin (oral formulation, alcoholism)|7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one|AC-20294|SMR001397270|4',7-DIHYDROXY-8-C-GLUCOSYLISOFLAVONE|Q63408673|Z1494829516|Puerarin (oral formulation, alcoholism), Natural Pharmacia|(1S)-1,5-Anhydro-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol|4H-1-BENZOPYRAN-4-ONE, 8-.BETA.-D-GLUCOPYRANOSYL-7-HYDROXY-3-(4-HYDROXYPHENYL)-|8-(-bet.-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one|8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one|(1S)-1,5-anhydro-1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-D-glucitol|5-HT2creceptor antagonists/GABA receptor antagonists (oral formulation, alcoholism), Natural Pharmacia|7-hydroxy-3-(4-hydroxyphenyl)-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.960 |
| Log Po/w (XLOGP3) : 0.010 |
| Log Po/w (WLOGP) : 0.060 |
| Log Po/w (MLOGP) : -1.520 |
| Log Po/w (SILICOS-IT) : 0.810 |
| Consensus Log Po/w : 0.270 |

