Phlorizin

Representations & DB's id
ChEBI:	CHEBI:8113
ChEMBL:	CHEMBL245067
PubChem:	6072
IUPAC:	1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
Standard InChI:	InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
Standard InChI Key:	IOUVKUPGCMBWBT-QNDFHXLGSA-N
SMILES:	OC[C@H]1O[C@@H](Oc2cc(O)cc(c2C(=O)CCc2ccc(cc2)O)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties
AlogP:	-0.2
Hydrogen bonds acceptors:	10
Hydrogen bonds donors:	7
Rotatable bonds:	7
Number of rings:	3
Molecular Weight:	436.14
Topological polar surface area:	177
Number of aromatic rings:	2
Fsp3:	0.381
Number of carbons:	21

Plant sources

Part of plant	Plant name	Ref.
Fructus	Punica granatum
Plant	Rubus idaeus
Plant	Humulus lupulus

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
Ki	180 nM	Sodium/glucose cotransporter 1	P13866
IC50	200 nM	Sodium/glucose cotransporter 1	P13866
IC50	100 nM	Sodium/glucose cotransporter 2	P31639
EC50	35.6 nM	Sodium/glucose cotransporter 2	P31639
EC50	330 nM	Sodium/glucose cotransporter 1	P13866
Others	30 %	Sodium/glucose cotransporter 1	P13866
IC50	752 nM	Sodium/glucose cotransporter 2	P31639
EC50	35 nM	Sodium/glucose cotransporter 2	P31639
Ki	18.6 nM	Sodium/glucose cotransporter 2	P31639
EC50	35 nM	Sodium/glucose cotransporter 2	P31639
EC50	160 nM	Sodium/glucose cotransporter 2	P31639
Ki	16000 nM	Solute carrier family 28 member 3	Q9HAS3
IC50	250000 nM	Sodium/nucleoside cotransporter 1	O00337
IC50	100000 nM	Sodium/nucleoside cotransporter 2	O43868
Ki	1000000 nM	Equilibrative nucleoside transporter 1	Q99808
IC50	210 nM	Sodium/glucose cotransporter 1	P13866
Others	50 %	Sodium/glucose cotransporter 1	P13866
Others	80 %	Sodium/glucose cotransporter 2	P31639
IC50	200000 nM	Sodium/glucose cotransporter 1	P13866
IC50	100000 nM	Sodium/glucose cotransporter 2	P31639
IC50	246 nM	Sodium/glucose cotransporter 1	P13866
IC50	27.8 nM	Sodium/glucose cotransporter 2	P31639
Potency	35481.3 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
EC50	108 nM	Sodium/glucose cotransporter 2	P31639
EC50	197.4 nM	Sodium/glucose cotransporter 1	P13866
Potency	316.2 nM	Histone acetyltransferase GCN5	Q92830
IC50	16 nM	Low affinity sodium-glucose cotransporter	Q9NY91
IC50	190 nM	Sodium/glucose cotransporter 1	P13866
IC50	16 nM	Sodium/glucose cotransporter 2	P31639
IC50	190 nM	Sodium/glucose cotransporter 1	P13866
IC50	38 nM	Sodium/glucose cotransporter 2	P31639
IC50	536 nM	Sodium/glucose cotransporter 1	P13866
IC50	185 nM	Sodium/glucose cotransporter 1	P13866
IC50	16.4 nM	Sodium/glucose cotransporter 2	P31639
EC50	120 nM	Sodium/glucose cotransporter 1	P13866
EC50	77 nM	Sodium/glucose cotransporter 2	P31639
IC50	60.7 nM	Sodium/glucose cotransporter 1	P13866
IC50	58.6 nM	Sodium/glucose cotransporter 2	P31639
Others	40 %	Epoxide hydratase	P34913
IC50	41720 nM	Epoxide hydratase	P34913
IC50	1000000 nM	Sodium/nucleoside cotransporter 2	O43868
Others	50 %	Sodium/nucleoside cotransporter 2	O43868
Others	14 %	Sodium/nucleoside cotransporter 2	O43868
EC50	123 nM	Sodium/glucose cotransporter 2	P31639
EC50	153 nM	Sodium/glucose cotransporter 1	P13866

Phlorizin

Representations & DB's id

Molecular propeties

Plant sources

In vitro data