Baicalein

Representations & DB's id
ChEBI:	CHEBI:2979
ChEMBL:	CHEMBL8260
PubChem:	5281605
IUPAC:	5,6,7-trihydroxy-2-phenylchromen-4-one
Standard InChI:	InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
Standard InChI Key:	FXNFHKRTJBSTCS-UHFFFAOYSA-N
SMILES:	Oc1cc2oc(cc(=O)c2c(c1O)O)c1ccccc1

Molecular propeties
AlogP:	2.58
Hydrogen bonds acceptors:	5
Hydrogen bonds donors:	3
Rotatable bonds:	1
Number of rings:	3
Molecular Weight:	270.05
Topological polar surface area:	87
Number of aromatic rings:	3
Fsp3:	0
Number of carbons:	15

Plant sources

Part of plant	Plant name	Ref.
Plant	Prunus persica
Rhizoma	Rheum palmatum

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
Others	29 %	Serine/threonine-protein kinase PIM1	P11309
Others	17 %	Serine/threonine-protein kinase PIM1	P11309
IC50	185920 nM	Estradiol 17-beta-dehydrogenase 3	P37058
Others	37.6 %	Selectin E	P16581
Others	52 %	P-selectin	P16109
Others	51.7 %	Leukocyte adhesion molecule-1	P14151
IC50	11000 nM	Glyoxalase I	Q04760
IC50	35000 nM	Sucrase-isomaltase	P14410
IC50	350000 nM	Serotonin 7 (5-HT7) receptor	P34969
IC50	36000 nM	Prolyl endopeptidase	P48147
Others	51 %	Prolyl endopeptidase	P48147
Others	64 %	Prolyl endopeptidase	P48147
Others	60 %	Prolyl endopeptidase	P48147
Others	81 %	Prolyl endopeptidase	P48147
Others	77 %	Prolyl endopeptidase	P48147
Others	84 %	Prolyl endopeptidase	P48147
IC50	130000 nM	Sialidase 2	Q9Y3R4
Potency	44668.4 nM	Thyroid hormone receptor beta-1	P10828
Potency	15848.9 nM	ATP-dependent DNA helicase Q1	P46063
Potency	28183.8 nM	ATP-dependent DNA helicase Q1	P46063
Potency	5011.9 nM	ATP-dependent DNA helicase Q1	P46063
Potency	1995.3 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	891.3 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	12589.3 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	7079.5 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	31622.8 nM	Hemoglobin beta chain	P68871
Potency	631 nM	DNA-(apurinic or apyrimidinic site) lyase	P27695
Potency	12589.3 nM	Survival motor neuron protein	Q16637
Potency	10000 nM	Microtubule-associated protein tau	P10636
Potency	44668.4 nM	Thyroid hormone receptor beta-1	P10828
Potency	5011.9 nM	Cytochrome P450 2C19	P33261
Potency	7943.3 nM	Microtubule-associated protein tau	P10636
Potency	25118.9 nM	Microtubule-associated protein tau	P10636
Potency	11220.2 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	14988.9 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	1995.3 nM	Arachidonate 15-lipoxygenase	P16050
Potency	19952.6 nM	Microtubule-associated protein tau	P10636
Potency	28183.8 nM	Microtubule-associated protein tau	P10636
Potency	19952.6 nM	Microtubule-associated protein tau	P10636
Potency	3548.1 nM	Arachidonate 12-lipoxygenase	P18054
Potency	15848.9 nM	Lethal(3)malignant brain tumor-like protein 1	Q9Y468
Potency	631 nM	Ubiquitin carboxyl-terminal hydrolase 2	O75604
Potency	28183.8 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	7943.3 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	3162.3 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	631 nM	Cellular tumor antigen p53	P04637
Potency	2511.9 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	3981.1 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	3981.1 nM	Cellular tumor antigen p53	P04637
Potency	15848.9 nM	Bloom syndrome protein	P54132
Potency	6309.6 nM	Bloom syndrome protein	P54132
Potency	31622.8 nM	Cytochrome P450 3A4	P08684
Potency	31622.8 nM	Cytochrome P450 2D6	P10635
Potency	5011.9 nM	Cytochrome P450 2C9	P11712
Potency	31622.8 nM	Cytochrome P450 3A4	P08684
Potency	44668.4 nM	Beta-glucocerebrosidase	P04062
Potency	56234.1 nM	Lysine-specific demethylase 4A	O75164
Potency	3262.9 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	7943.3 nM	Arachidonate 15-lipoxygenase, type II	O15296
Potency	4107.8 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Ki	600 nM	Arachidonate 15-lipoxygenase	P16050
Ki	1600 nM	Arachidonate 12-lipoxygenase	P18054
AC50	14528 nM	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q63470
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1-1	P22309
Others	5 pm/min/mg	UDP-glucuronosyltransferase 2B15	P54855
Others	71.77 %	Estrogen receptor alpha	P03372
Others	48.44 %	Estrogen receptor alpha	P03372
EC50	10300 nM	G-protein coupled receptor 35	Q9HC97
EC50	22700 nM	G-protein coupled receptor 35	Q9HC97
IC50	28200 nM	G-protein coupled receptor 35	Q9HC97
Others	2.1	G-protein coupled receptor 35	Q9HC97
Potency	1636 nM	Geminin	O75496
Potency	3981.1 nM	Breast cancer type 1 susceptibility protein	P38398
Potency	5323.3 nM	Werner syndrome ATP-dependent helicase	Q14191
Potency	17782.8 nM	Breast cancer type 1 susceptibility protein	P38398
IC50	10000 nM	Tyrosine-protein kinase receptor FLT3	P36888
IC50	3000 nM	Lysine-specific demethylase 4D-like	B2RXH2
IC50	12800000 nM	Gamma-amino-N-butyrate transaminase	P80404
IC50	4400 nM	UDP-glucuronosyltransferase 1-1	P22309
IC50	7000 nM	UDP-glucuronosyltransferase 1-1	P22309
IC50	120000 nM	Death-associated protein kinase 1	P53355
IC50	10300 nM	Receptor-type tyrosine-protein phosphatase S	Q13332
Others	80.5 %	Receptor-type tyrosine-protein phosphatase S	Q13332

Baicalein

Representations & DB's id

Molecular propeties

Plant sources

In vitro data