Catechol

Representations & DB's id
ChEBI:	CHEBI:18135
ChEMBL:	CHEMBL280998
PubChem:	289
IUPAC:	benzene-1,2-diol
Standard InChI:	InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Standard InChI Key:	YCIMNLLNPGFGHC-UHFFFAOYSA-N
SMILES:	Oc1ccccc1O

Molecular propeties
AlogP:	1.1
Hydrogen bonds acceptors:	2
Hydrogen bonds donors:	2
Rotatable bonds:	0
Number of rings:	1
Molecular Weight:	110.04
Topological polar surface area:	40.5
Number of aromatic rings:	1
Fsp3:	0
Number of carbons:	6

Plant sources

Part of plant	Plant name	Ref.
Plant	Vitis vinifera
Plant	Hypericum perforatum
Plant	Prunus persica

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
Ki	4003000 nM	Carbonic anhydrase I	P00915
Ki	9910 nM	Carbonic anhydrase II	P00918
Ki	4003000 nM	Carbonic anhydrase I	P00915
Ki	9900 nM	Carbonic anhydrase II	P00918
Ki	13000 nM	Carbonic anhydrase III	P07451
Ki	10900 nM	Carbonic anhydrase IV	P22748
Ki	55100 nM	Carbonic anhydrase VA	P35218
Ki	4200 nM	Carbonic anhydrase VB	Q9Y2D0
Ki	606000 nM	Carbonic anhydrase VI	P23280
Ki	714000 nM	Carbonic anhydrase VII	P43166
Ki	115000 nM	Carbonic anhydrase IX	Q16790
Ki	8900 nM	Carbonic anhydrase XII	O43570
Ki	48900 nM	Carbonic anhydrase XIV	Q9ULX7
Ki	48900 nM	Carbonic anhydrase XIV	Q9ULX7
Ki	8900 nM	Carbonic anhydrase XII	O43570
Ki	115000 nM	Carbonic anhydrase IX	Q16790
Ki	714000 nM	Carbonic anhydrase VII	P43166
Ki	606000 nM	Carbonic anhydrase VI	P23280
Ki	4200 nM	Carbonic anhydrase VB	Q9Y2D0
Ki	55100 nM	Carbonic anhydrase VA	P35218
Ki	10900 nM	Carbonic anhydrase IV	P22748
Ki	13000 nM	Carbonic anhydrase III	P07451
Ki	9900 nM	Carbonic anhydrase II	P00918
Ki	4003000 nM	Carbonic anhydrase I	P00915
Potency	11220.2 nM	Prelamin-A/C	P02545
Potency	2238.7 nM	Nuclear factor NF-kappa-B p105 subunit	P19838
Potency	15848.9 nM	ATP-dependent DNA helicase Q1	P46063
Potency	25118.9 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	14125.4 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	73078 nM	Ras-related protein Rab-9A	P51151
Potency	12589.3 nM	Survival motor neuron protein	Q16637
Potency	926.8 nM	Serine/threonine-protein kinase mTOR	P42345
Potency	19952.6 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	14125.4 nM	Microtubule-associated protein tau	P10636
Potency	12589.3 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	14125.4 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	17782.8 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	75686.3 nM	Peripheral myelin protein 22	Q01453
Potency	35481.3 nM	Prelamin-A/C	P02545
Potency	15848.9 nM	Arachidonate 15-lipoxygenase	P16050
Potency	1412.5 nM	Microtubule-associated protein tau	P10636
Potency	12589.3 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	10399.2 nM	Serine/threonine-protein kinase mTOR	P42345
Potency	2238.7 nM	Nuclear factor NF-kappa-B p105 subunit	P19838
Potency	17782.8 nM	Lethal(3)malignant brain tumor-like protein 1	Q9Y468
Potency	35481.3 nM	DNA-(apurinic or apyrimidinic site) lyase	P27695
Potency	115820.8 nM	Niemann-Pick C1 protein	O15118
Potency	44668.4 nM	Bloom syndrome protein	P54132
Potency	17782.8 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	23280.9 nM	Serine/threonine-protein kinase mTOR	P42345
Potency	11220.2 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	5011.9 nM	Thrombopoietin	P40225
Potency	1584.9 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	2511.9 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	44668.4 nM	Bloom syndrome protein	P54132
Potency	10000 nM	Cytochrome P450 3A4	P08684
Potency	39810.7 nM	DNA polymerase beta	P06746
Potency	11220.2 nM	Geminin	O75496
Potency	5011.9 nM	Thrombopoietin	P40225
Potency	10000 nM	Cytochrome P450 3A4	P08684
Others	10 %	Matrix metalloproteinase 9	P14780
Others	25 %	Matrix metalloproteinase-1	P03956
Others	1 %	Matrix metalloproteinase 3	P08254
Others	31 %	Matrix metalloproteinase 8	P22894
Others	10 %	Matrix metalloproteinase-2	P08253
Others	89 %	Arachidonate 5-lipoxygenase	P09917
Potency	23109.3 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	39810.7 nM	Lysine-specific demethylase 4A	O75164
Potency	26679.5 nM	M-phase phosphoprotein 8	Q99549
Potency	79432.8 nM	M-phase phosphoprotein 8	Q99549
Potency	1584.9 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	1778.3 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	1258.9 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	50118.7 nM	Chromobox protein homolog 1	P83916
Potency	12589.3 nM	Arachidonate 15-lipoxygenase, type II	O15296
Potency	5972.8 nM	Flap endonuclease 1	P39748
Ki	4003000 nM	Carbonic anhydrase I	P00915
Ki	9900 nM	Carbonic anhydrase II	P00918
Ki	10900 nM	Carbonic anhydrase IV	P22748
Ki	606000 nM	Carbonic anhydrase VI	P23280
Potency	730.8 nM	Geminin	O75496
Potency	29849.3 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	35481.3 nM	Glutaminase kidney isoform, mitochondrial	O94925
Potency	35481.3 nM	Ataxin-2	Q99700
Potency	74978 nM	Interleukin-8	P10145
Potency	35481.3 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	5955.7 nM	Nuclear receptor ROR-gamma	P51449
Others	-8 %	Indoleamine 2,3-dioxygenase	P14902
Ki	4003000 nM	Carbonic anhydrase I	P00915
Ki	9900 nM	Carbonic anhydrase II	P00918
Ki	115000 nM	Carbonic anhydrase IX	Q16790
Ki	9900 nM	Carbonic anhydrase II	P00918
Ki	4003000 nM	Carbonic anhydrase I	P00915

Catechol

Representations & DB's id

Molecular propeties

Plant sources

In vitro data