Paraben

Representations & DB's id
ChEBI:	CHEBI:30763
ChEMBL:	CHEMBL441343
PubChem:	3702506
IUPAC:	4-oxoniobenzoate
Standard InChI:	InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
Standard InChI Key:	FJKROLUGYXJWQN-UHFFFAOYSA-N
SMILES:	Oc1ccc(cc1)C(=O)O

Molecular propeties
AlogP:	1.09
Hydrogen bonds acceptors:	2
Hydrogen bonds donors:	2
Rotatable bonds:	1
Number of rings:	1
Molecular Weight:	138.03
Topological polar surface area:	41.1
Number of aromatic rings:	1
Fsp3:	0
Number of carbons:	7

Plant sources

Part of plant	Plant name	Ref.
Plant	Vitis vinifera
Plant	Punica granatum
Plant	Panax ginseng
Plant	Schisandra chinensis
Plant	Papaver somniferum
Plant	Citrus unshiu
Plant	Ocimum gratissimum
Plant	Tussilago farfara
Plant	Calendula officinalis
Plant	Taraxacum officinale
Plant	Plantago major
Plant	Oryza sativa
Plant	Glycyrrhiza glabra
Plant	Glycyrrhiza uralensis
Plant	Glycyrrhiza uralensis
Plant	Thymus vulgaris
Plant	Humulus lupulus
Plant	Humulus lupulus
Plant	Chelidonium majus
Plant	Crocus sativus
Plant	Ephedra equisetina

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
IC50	1000000 nM	Succinate semialdehyde dehydrogenase	P51649
IC50	1000000 nM	Gamma-amino-N-butyrate transaminase	P80404
Ki	9800 nM	Carbonic anhydrase I	P00915
Ki	10600 nM	Carbonic anhydrase II	P00918
IC50	10 ug/ml	Epidermal growth factor receptor erbB1	P00533
Ki	34300 nM	Carbonic anhydrase XIV	Q9ULX7
Ki	4800 nM	Carbonic anhydrase XII	O43570
Ki	118000 nM	Carbonic anhydrase IX	Q16790
Ki	716000 nM	Carbonic anhydrase VII	P43166
Ki	11400 nM	Carbonic anhydrase VI	P23280
Ki	10500 nM	Carbonic anhydrase VB	Q9Y2D0
Ki	9200 nM	Carbonic anhydrase VA	P35218
Ki	809000 nM	Carbonic anhydrase IV	P22748
Ki	696000 nM	Carbonic anhydrase III	P07451
Ki	10600 nM	Carbonic anhydrase II	P00918
Ki	9800 nM	Carbonic anhydrase I	P00915
Ki	6160 nM	Carbonic anhydrase XIV	Q9ULX7
Ki	6270 nM	Carbonic anhydrase XII	O43570
Ki	3730 nM	Carbonic anhydrase IX	Q16790
Ki	4080 nM	Carbonic anhydrase VII	P43166
Ki	5700 nM	Carbonic anhydrase VI	P23280
Ki	7130 nM	Carbonic anhydrase VB	Q9Y2D0
Ki	3670 nM	Carbonic anhydrase VA	P35218
Ki	7780 nM	Carbonic anhydrase IV	P22748
Ki	6610 nM	Carbonic anhydrase III	P07451
Ki	870 nM	Carbonic anhydrase II	P00918
Ki	920 nM	Carbonic anhydrase I	P00915
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1-6	P19224
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1-6	P19224
Others	30 pm/min/mg	UDP-glucuronosyltransferase 1-9	O60656
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1-9	O60656
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1-10	Q9HAW8
Others	67 pm/min/mg	UDP-glucuronosyltransferase 1-8	Q9HAW9
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1-10	Q9HAW8
Others	0 pm/min/mg	UDP-glucuronosyltransferase 1-7	Q9HAW7
Others	91.8 %	Cytochrome P450 19A1	P11511

Paraben

Representations & DB's id

Molecular propeties

Plant sources

In vitro data