Phenol

Representations & DB's id
ChEBI:	CHEBI:15882
ChEMBL:	CHEMBL14060
PubChem:	996
IUPAC:	phenol
Standard InChI:	InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
Standard InChI Key:	ISWSIDIOOBJBQZ-UHFFFAOYSA-N
SMILES:	Oc1ccccc1

Molecular propeties
AlogP:	1.39
Hydrogen bonds acceptors:	1
Hydrogen bonds donors:	1
Rotatable bonds:	0
Number of rings:	1
Molecular Weight:	94.04
Topological polar surface area:	20.2
Number of aromatic rings:	1
Fsp3:	0
Number of carbons:	6

Plant sources

Part of plant	Plant name	Ref.
Plant	Vaccinium vitis-idaea
Plant	Humulus lupulus

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
Ki	11500 nM	Carbonic anhydrase XIV	Q9ULX7
Ki	9200 nM	Carbonic anhydrase XII	O43570
Ki	8800 nM	Carbonic anhydrase IX	Q16790
Ki	710000 nM	Carbonic anhydrase VII	P43166
Ki	208000 nM	Carbonic anhydrase VI	P23280
Ki	543000 nM	Carbonic anhydrase VB	Q9Y2D0
Ki	218000 nM	Carbonic anhydrase VA	P35218
Ki	9500 nM	Carbonic anhydrase IV	P22748
Ki	2700 nM	Carbonic anhydrase III	P07451
Ki	5500 nM	Carbonic anhydrase II	P00918
Ki	10200 nM	Carbonic anhydrase I	P00915
Ki	10200 nM	Carbonic anhydrase I	P00915
Ki	5500 nM	Carbonic anhydrase II	P00918
Ki	2700 nM	Carbonic anhydrase III	P07451
Ki	9500 nM	Carbonic anhydrase IV	P22748
Ki	218000 nM	Carbonic anhydrase VA	P35218
Ki	500000 nM	Carbonic anhydrase VB	Q9Y2D0
Ki	208000 nM	Carbonic anhydrase VI	P23280
Ki	500000 nM	Carbonic anhydrase VII	P43166
Ki	8800 nM	Carbonic anhydrase IX	Q16790
Ki	9200 nM	Carbonic anhydrase XII	O43570
Ki	11500 nM	Carbonic anhydrase XIV	Q9ULX7
Ki	10200 nM	Carbonic anhydrase I	P00915
Ki	5500 nM	Carbonic anhydrase II	P00918
Ki	2700 nM	Carbonic anhydrase III	P07451
Ki	9500 nM	Carbonic anhydrase IV	P22748
Ki	218000 nM	Carbonic anhydrase VA	P35218
Ki	543000 nM	Carbonic anhydrase VB	Q9Y2D0
Ki	208000 nM	Carbonic anhydrase VI	P23280
Ki	710000 nM	Carbonic anhydrase VII	P43166
Ki	8800 nM	Carbonic anhydrase IX	Q16790
Ki	9200 nM	Carbonic anhydrase XII	O43570
Ki	697000 nM	Carbonic anhydrase XIII	Q8N1Q1
Ki	11500 nM	Carbonic anhydrase XIV	Q9ULX7
Potency	25118.9 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	10000 nM	Alpha-galactosidase A	P06280
Ki	10200 nM	Carbonic anhydrase I	P00915
Ki	5500 nM	Carbonic anhydrase II	P00918
Ki	8800 nM	Carbonic anhydrase IX	Q16790
Ki	9200 nM	Carbonic anhydrase XII	O43570
Ki	10100 nM	Carbonic anhydrase I	P00915
Ki	5500 nM	Carbonic anhydrase II	P00918
Others	1 pm/min/mg	UDP-glucuronosyltransferase 1-6	P19224
Others	1.3 pm/min/mg	UDP-glucuronosyltransferase 1-6	P19224
Potency	1000000 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	76958.8 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Ki	9200 nM	Carbonic anhydrase XII	O43570
Ki	8800 nM	Carbonic anhydrase IX	Q16790
Ki	5500 nM	Carbonic anhydrase II	P00918
Ki	10200 nM	Carbonic anhydrase I	P00915
Ki	5500 nM	Carbonic anhydrase II	P00918
Ki	11500 nM	Carbonic anhydrase XIV	Q9ULX7
Ki	697000 nM	Carbonic anhydrase XIII	Q8N1Q1
Ki	9200 nM	Carbonic anhydrase XII	O43570
Ki	8800 nM	Carbonic anhydrase IX	Q16790
Ki	710000 nM	Carbonic anhydrase VII	P43166
Ki	208000 nM	Carbonic anhydrase VI	P23280
Ki	543000 nM	Carbonic anhydrase VB	Q9Y2D0
Ki	218000 nM	Carbonic anhydrase VA	P35218
Ki	9500 nM	Carbonic anhydrase IV	P22748
Ki	2700 nM	Carbonic anhydrase III	P07451
Ki	5500 nM	Carbonic anhydrase II	P00918
Ki	10200 nM	Carbonic anhydrase I	P00915
Ki	9200 nM	Carbonic anhydrase XII	O43570
Ki	8800 nM	Carbonic anhydrase IX	Q16790
Ki	5500 nM	Carbonic anhydrase II	P00918
Ki	10200 nM	Carbonic anhydrase I	P00915
Ki	10200 nM	Carbonic anhydrase I	P00915
Ki	5500 nM	Carbonic anhydrase II	P00918
Ki	8800 nM	Carbonic anhydrase IX	Q16790
Ki	5500 nM	Carbonic anhydrase II	P00918
Ki	10200 nM	Carbonic anhydrase I	P00915

Phenol

Representations & DB's id

Molecular propeties

Plant sources

In vitro data