Epinephrine

Representations & DB's id
ChEBI:	CHEBI:28918
ChEMBL:	CHEMBL679
PubChem:	5816
IUPAC:	4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
Standard InChI:	InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
Standard InChI Key:	UCTWMZQNUQWSLP-VIFPVBQESA-N
SMILES:	CNC[C@@H](c1ccc(c(c1)O)O)O

Molecular propeties
AlogP:	0.35
Hydrogen bonds acceptors:	4
Hydrogen bonds donors:	4
Rotatable bonds:	3
Number of rings:	1
Molecular Weight:	183.09
Topological polar surface area:	72.7
Number of aromatic rings:	1
Fsp3:	0.333
Number of carbons:	9

Plant sources

Part of plant	Plant name	Ref.
Plant	Rhaponticum carthamoides

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
Kd	55000 nM	Dopamine D1 receptor	P21728
EC50	31 nM	Beta-3 adrenergic receptor	P13945
EC50	49 nM	Beta-3 adrenergic receptor	P13945
Others	29.1 %	Solute carrier family 22 member 1	O15245
Kd	630 nM	Beta-2 adrenergic receptor	P07550
Potency	17782.8 nM	ATP-dependent DNA helicase Q1	P46063
Potency	7079.5 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	26121.6 nM	Serine/threonine-protein kinase mTOR	P42345
Potency	3162.3 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	31622.8 nM	Thyroid stimulating hormone receptor	P16473
Potency	3548.1 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	11220.2 nM	Microtubule-associated protein tau	P10636
Potency	7943.3 nM	Microtubule-associated protein tau	P10636
Potency	1584.9 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	14125.4 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	12589.3 nM	Microtubule-associated protein tau	P10636
Potency	1584.9 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	23280.9 nM	Serine/threonine-protein kinase mTOR	P42345
Potency	28183.8 nM	Arachidonate 12-lipoxygenase	P18054
Potency	3981.1 nM	MAP kinase ERK2	P28482
Potency	31622.8 nM	Thyroid stimulating hormone receptor	P16473
Potency	794.3 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	39810.7 nM	Cytochrome P450 2D6	P10635
Potency	31622.8 nM	Cytochrome P450 3A4	P08684
Potency	31622.8 nM	Cytochrome P450 3A4	P08684
Potency	112201.8 nM	ATP-dependent DNA helicase Q1	P46063
Potency	2511.9 nM	Dopamine D1 receptor	P21728
Potency	410.9 nM	Dopamine D1 receptor	P21728
Potency	37685.8 nM	M-phase phosphoprotein 8	Q99549
Potency	794.3 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	3162.3 nM	Dopamine D1 receptor	P21728
Potency	10621.3 nM	Flap endonuclease 1	P39748
Potency	48557.7 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	163.6 nM	Dopamine D1 receptor	P21728
Kd	630.96 nM	Beta-2 adrenergic receptor	P07550
Ki	360 nM	Beta-2 adrenergic receptor	P07550
Ki	910 nM	Dopamine D2 receptor	P14416
Ki	160 nM	Alpha-2a adrenergic receptor	P08913
EC50	30.2 nM	Alpha-2a adrenergic receptor	P08913

Epinephrine

Representations & DB's id

Molecular propeties

Plant sources

In vitro data