Hesperetin

Representations & DB's id
ChEBI:	CHEBI:28230
ChEMBL:	CHEMBL399121
PubChem:	72281
IUPAC:	(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
Standard InChI:	InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
Standard InChI Key:	AIONOLUJZLIMTK-AWEZNQCLSA-N
SMILES:	COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O

Molecular propeties
AlogP:	2.52
Hydrogen bonds acceptors:	6
Hydrogen bonds donors:	3
Rotatable bonds:	2
Number of rings:	3
Molecular Weight:	302.08
Topological polar surface area:	96.2
Number of aromatic rings:	2
Fsp3:	0.188
Number of carbons:	16

Plant sources

Part of plant	Plant name	Ref.
Pericarpium	Citrus unshiu
Pericarpium	Citrus unshiu
Plant	Taraxacum officinale
Plant	Thymus vulgaris

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
Others	39.8 %	Salivary alpha-amylase	P04745
Others	44 %	Estradiol 17-beta-dehydrogenase 1	P14061
Others	36.4 %	Estradiol 17-beta-dehydrogenase 2	P37059
Others	1.5	Peroxisome proliferator-activated receptor gamma	P37231
Others	3.8	Peroxisome proliferator-activated receptor gamma	P37231
Others	1.9	Peroxisome proliferator-activated receptor alpha	Q07869
Others	2	Peroxisome proliferator-activated receptor alpha	Q07869
IC50	2786 nM	Cytochrome P450 1A1	P04798
IC50	511 nM	Cytochrome P450 1B1	Q16678
IC50	34647 nM	Cytochrome P450 1A2	P05177
Potency	6309.6 nM	Ras-related protein Rab-9A	P51151
Potency	2511.9 nM	Thyroid stimulating hormone receptor	P16473
Potency	5011.9 nM	Cytochrome P450 2C19	P33261
Potency	7943.3 nM	Cytochrome P450 2C19	P33261
Potency	5011.9 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	12589.3 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	5011.9 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	5623.4 nM	Niemann-Pick C1 protein	O15118
Potency	2511.9 nM	Thyroid stimulating hormone receptor	P16473
Potency	3981.1 nM	MAP kinase ERK2	P28482
Potency	39810.7 nM	Serine-protein kinase ATM	Q13315
Potency	15848.9 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	12589.3 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	25118.9 nM	Cellular tumor antigen p53	P04637
Potency	39810.7 nM	Cytochrome P450 2D6	P10635
Potency	10000 nM	Cytochrome P450 3A4	P08684
Potency	15848.9 nM	Cytochrome P450 3A4	P08684
Potency	10000 nM	Cytochrome P450 2D6	P10635
Potency	15848.9 nM	Cytochrome P450 2C9	P11712
Potency	10000 nM	Cytochrome P450 2C9	P11712
Potency	10000 nM	Cytochrome P450 3A4	P08684
Potency	15848.9 nM	Cytochrome P450 3A4	P08684
Potency	29081 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	11220.2 nM	ATPase family AAA domain-containing protein 5	Q96QE3
IC50	2476100 nM	Acetylcholinesterase	P22303
Potency	15848.9 nM	Ataxin-2	Q99700
Others	19.5 %	TGF-beta receptor type II	P37173
Others	19.9 %	TGF-beta receptor type II	P37173
Others	10.5 %	TGF-beta receptor type II	P37173
IC50	26900 nM	Glycogen synthase kinase-3 beta	P49841
Others	1.3	Peroxisome proliferator-activated receptor delta	Q03181
Others	1.2	Peroxisome proliferator-activated receptor delta	Q03181
Ki	10000 nM	Carbonic anhydrase II	P00918
Ki	10000 nM	Carbonic anhydrase I	P00915
Ki	102.1 nM	Carbonic anhydrase IV	P22748
Ki	3.3 nM	Carbonic anhydrase VII	P43166
Ki	454.1 nM	Carbonic anhydrase XII	O43570

Hesperetin

Representations & DB's id

Molecular propeties

Plant sources

In vitro data