Menadione

Representations & DB's id
ChEBI:	CHEBI:28869
ChEMBL:	CHEMBL590
PubChem:	4055
IUPAC:	2-methylnaphthalene-1,4-dione
Standard InChI:	InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
Standard InChI Key:	MJVAVZPDRWSRRC-UHFFFAOYSA-N
SMILES:	O=C1C=C(C)C(=O)c2c1cccc2

Molecular propeties
AlogP:	2.01
Hydrogen bonds acceptors:	2
Hydrogen bonds donors:	0
Rotatable bonds:	0
Number of rings:	2
Molecular Weight:	172.05
Topological polar surface area:	34.1
Number of aromatic rings:	1
Fsp3:	0.091
Number of carbons:	11

Plant sources

Part of plant	Plant name	Ref.
Plant	Juglans regia
Plant	Juglans regia
Plant	Juglans regia

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
Others	0.5	Quinone reductase 1)	P15559
Others	5.8	Quinone reductase 1)	P15559
IC50	18800 nM	Dual specificity phosphatase Cdc25C	P30307
Ki	16100 nM	Glutathione reductase	P00390
Ki	12100 nM	Glutathione reductase	P00390
IC50	19000 nM	Dual specificity phosphatase Cdc25C	P30307
IC50	1000 nM	Indoleamine 2,3-dioxygenase	P14902
IC50	3380 nM	Dual specificity phosphatase Cdc25B	P30305
IC50	290000 nM	Ubiquitin carboxyl-terminal hydrolase isozyme L1	P09936
IC50	71000 nM	Ubiquitin carboxyl-terminal hydrolase isozyme L3	P15374
Potency	35481.3 nM	Prelamin-A/C	P02545
Potency	11220.2 nM	Prelamin-A/C	P02545
Potency	10000 nM	Glyceraldehyde-3-phosphate dehydrogenase liver	P04406
Potency	1584.9 nM	Survival motor neuron protein	Q16637
Potency	5011.9 nM	Microtubule-associated protein tau	P10636
Potency	2511.9 nM	Cytochrome P450 2C19	P33261
Potency	15848.9 nM	Microtubule-associated protein tau	P10636
Potency	15848.9 nM	Pyruvate kinase isozymes M1/M2	P14618
Potency	12589.3 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	14125.4 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	11220.2 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	39810.7 nM	Microtubule-associated protein tau	P10636
Potency	8912.5 nM	Microtubule-associated protein tau	P10636
Potency	12589.3 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	25118.9 nM	MAP kinase ERK2	P28482
Potency	2511.9 nM	MAP kinase ERK2	P28482
Potency	6309.6 nM	Ubiquitin carboxyl-terminal hydrolase 2	O75604
Potency	15848.9 nM	Pyruvate kinase isozymes M1/M2	P14618
Potency	39810.7 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	12589.3 nM	Cellular tumor antigen p53	P04637
Potency	25118.9 nM	Cellular tumor antigen p53	P04637
Potency	10000 nM	Cellular tumor antigen p53	P04637
Potency	39810.7 nM	Serine-protein kinase ATM	Q13315
Potency	12589.3 nM	Hemoglobin beta chain	P68871
Potency	35481.3 nM	Prelamin-A/C	P02545
Potency	17782.8 nM	Bloom syndrome protein	P54132
Potency	39810.7 nM	Cytochrome P450 3A4	P08684
Potency	7943.3 nM	Cytochrome P450 2D6	P10635
Potency	56234.1 nM	Lysosomal alpha-glucosidase	P10253
Potency	6309.6 nM	Cytochrome P450 2C9	P11712
Potency	39810.7 nM	Cytochrome P450 3A4	P08684
Potency	56234.1 nM	Lysosomal alpha-glucosidase	P10253
IC50	200 nM	Aldehyde oxidase	Q06278
Potency	8912.5 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	39810.7 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	7943.3 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	10000 nM	Bromodomain adjacent to zinc finger domain protein 2B	Q9UIF8
Ki	400 nM	Monoamine oxidase B	P27338
Others	50 %	Monoamine oxidase B	P27338
Ki	26000 nM	Monoamine oxidase A	P21397
Potency	33498.3 nM	Geminin	O75496
Potency	3264.3 nM	Geminin	O75496
Potency	2909.3 nM	Geminin	O75496
Potency	25929 nM	Geminin	O75496
Potency	10000 nM	Ataxin-2	Q99700
Others	1 umol/L/min	NQO1 protein	Q3B792
Others	2.1 umol/L/min	NADPH--cytochrome P450 reductase	P16435
Others	1225 umol/min/mg	Quinone reductase 1)	P15559
Others	1315 micromol/min	Quinone reductase 1)	P15559
Others	10	Aldehyde oxidase	Q06278
Others	3.2	Aldehyde oxidase	Q06278
Ki	1500 nM	Aldehyde oxidase	Q06278
Ki	470 nM	Aldehyde oxidase	Q06278

Menadione

Representations & DB's id

Molecular propeties

Plant sources

In vitro data