Bisphenol A

Representations & DB's id
ChEBI:	CHEBI:33216
ChEMBL:	CHEMBL418971
PubChem:	6623
IUPAC:	4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
Standard InChI:	InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
Standard InChI Key:	IISBACLAFKSPIT-UHFFFAOYSA-N
SMILES:	CC(c1ccc(cc1)O)(c1ccc(cc1)O)C

Molecular propeties
AlogP:	3.42
Hydrogen bonds acceptors:	2
Hydrogen bonds donors:	2
Rotatable bonds:	2
Number of rings:	2
Molecular Weight:	228.12
Topological polar surface area:	40.5
Number of aromatic rings:	2
Fsp3:	0.2
Number of carbons:	15

Plant sources

Part of plant	Plant name	Ref.
Radix	Panax ginseng

Activity Type	Activity Value	Target Name	UniProt ID
Potency	39810.7 nM	Thyroid stimulating hormone receptor	P16473
Potency	11220.2 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	31622.8 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	25118.9 nM	Cytochrome P450 3A4	P08684
Potency	6309.6 nM	Cytochrome P450 3A4	P08684
Potency	25118.9 nM	Cytochrome P450 3A4	P08684
Potency	6309.6 nM	Cytochrome P450 3A4	P08684
Potency	30637.9 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	47307.9 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	42163.2 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	39810.7 nM	Glutaminase kidney isoform, mitochondrial	O94925
Potency	28183.8 nM	Glucagon-like peptide 1 receptor	P43220
Potency	29849.3 nM	Nuclear receptor ROR-gamma	P51449
Potency	47307.9 nM	Nuclear receptor ROR-gamma	P51449
IC50	5900 nM	Androgen Receptor	P10275
Others	25 %	Estrogen receptor beta	Q92731
EC50	1100 nM	Estrogen receptor beta	Q92731
Others	38 %	Estrogen receptor alpha	P03372
Others	33 %	Estrogen receptor alpha	P03372
Others	1.6	GTPase KRas	P01116
Others	1.6	Transforming protein p21/H-Ras-1	P01112
Kd	600000 nM	GTPase KRas	P01116
Kd	1800000 nM	GTP-binding protein Rheb	Q15382
Kd	5.5 nM	Estrogen-related receptor gamma	P62508
IC50	10000 nM	Nuclear receptor ROR-gamma	P51449
Others	28.7 %	Estrogen receptor alpha	P03372
Others	36.1 %	Estrogen receptor alpha	P03372
EC50	290 nM	Estrogen receptor alpha	P03372