Substance
- Substance Name: puerarin
- Formula: C21H20O9
- Molecular Weight: 416.4 g/mol
- Identifiers:
- casrn: 3681-99-0
- pubchemId: 5281807
- iupacname: 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
- inchi: InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1
- inchikey: HKEAFJYKMMKDOR-VPRICQMDSA-N
- csmiles: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O
- ismiles: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
- wikidataId: Q4392082
- chemspiderId: 4445119
- dsstoxcmpId: DTXCID001385940
- chemblId: CHEMBL486386
- ecnumber: 609-296-1
puerarin
Systems and Datasets
- puerarin + water (Datasets: 1)
- Dataset 3 in paper 10.1021/je050076g (Dataseries: 1, Datapoints: 9, Quantity: Amount concentration)
- ethanol + 4H-1-benzopyran-4-one, 8-beta-D-glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)- (Datasets: 2)
- Dataset 1 in paper 10.1021/je050076g (Dataseries: 1, Datapoints: 9, Quantity: Amount concentration)
- Dataset 1 in paper 10.1021/je050192j (Dataseries: 1, Datapoints: 3, Quantity: Mole fraction)
- acetone + 4H-1-benzopyran-4-one, 8-beta-D-glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)- (Datasets: 1)
- Dataset 2 in paper 10.1021/je050076g (Dataseries: 1, Datapoints: 9, Quantity: Amount concentration)
- ethanol + carbon dioxide + 4H-1-benzopyran-4-one, 8-beta-D-glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)- (Datasets: 1)
- Dataset 2 in paper 10.1021/je050192j (Dataseries: 3, Datapoints: 48, Quantity: Mole fraction)
- acetic acid + methanol + 4H-1-benzopyran-4-one, 8-beta-D-glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)- (Datasets: 1)
- Dataset 1 in paper 10.1016/j.fluid.2012.11.035 (Dataseries: 5, Datapoints: 35, Quantity: Mole fraction)