Molecule

4-Methoxybenzoic acid; Amide

AlkaPlorer ID: AK264921

Synonym: 4-Methoxybenzamide, Anisamide

IUPAC Name: 4-methoxybenzamide

Structure

SMILES: COC1=CC=C(C(N)=O)C=C1

InChI: InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)

InChIKey: GUCPYIYFQVTFSI-UHFFFAOYSA-N

Reference

<i>Naravelia zeyanica</i>: occurrence of primary benzamides in flowering plants

PubChem CID: 76959

CAS: 135-67-1

LOTUS: LTS0202957

COCONUT: CNP0301578

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Naravelia zeylanica	Naravelia	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 151.16500000000002

TPSA？: 52.32

MolLogP？: 0.7941000000000001

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	Bacillus subtilis	MIC	4000.0	ug.mL-1	10.1016/j.bmcl.2008.11.021
Bacillus subtilis (strain 168)	Cell division protein ftsZ	Activity	nan	None	10.1016/j.bmcl.2008.11.021
Homo sapiens	Alcohol dehydrogenase	log K	-2.2	None	10.1021/jm00214a001
Homo sapiens	Carbonic anhydrase I	Ki	4340.0	nM	10.1016/j.bmcl.2011.02.057
Homo sapiens	Carbonic anhydrase II	Ki	2180.0	nM	10.1016/j.bmcl.2011.02.057
Homo sapiens	Indoleamine 2,3-dioxygenase	Inhibition	3.0	%	10.1016/j.bmc.2013.10.037
Homo sapiens	Mono [ADP-ribose] polymerase PARP16	IC50	10000.0	nM	10.1016/j.ejmech.2018.06.047
Homo sapiens	Nicotinamide N-methyltransferase	IC50	30000.0	nM	10.1016/j.bmcl.2018.01.058
Homo sapiens	Poly [ADP-ribose] polymerase-1	IC50	57000.0	nM	10.1016/j.ejmech.2018.06.047
Homo sapiens	Poly [ADP-ribose] polymerase 10	Delta Tm	2.76	degrees C	10.1016/j.ejmech.2018.06.047
Homo sapiens	Poly [ADP-ribose] polymerase 10	IC50	2754.23	nM	10.1016/j.ejmech.2018.06.047
Homo sapiens	Poly [ADP-ribose] polymerase 10	IC50	2800.0	nM	10.1016/j.ejmech.2018.06.047
Homo sapiens	Poly [ADP-ribose] polymerase 12	IC50	10000.0	nM	10.1016/j.ejmech.2018.06.047
Homo sapiens	Poly [ADP-ribose] polymerase 14	IC50	10000.0	nM	10.1016/j.ejmech.2018.06.047
Homo sapiens	Poly [ADP-ribose] polymerase 15	IC50	10000.0	nM	10.1016/j.ejmech.2018.06.047
Homo sapiens	Poly [ADP-ribose] polymerase 2	IC50	77000.0	nM	10.1016/j.ejmech.2018.06.047
Homo sapiens	Poly [ADP-ribose] polymerase 3	IC50	100000.0	nM	10.1016/j.ejmech.2018.06.047
Homo sapiens	Poly [ADP-ribose] polymerase 4	IC50	65000.0	nM	10.1016/j.ejmech.2018.06.047
Homo sapiens	Protein mono-ADP-ribosyltransferase PARP9	Delta Tm	0.15	degrees C	10.1016/j.ejmech.2018.06.047
Homo sapiens	Tankyrase-1	IC50	100000.0	nM	10.1016/j.ejmech.2018.06.047
Homo sapiens	Tankyrase-2	IC50	100000.0	nM	10.1016/j.ejmech.2018.06.047
Homo sapiens	Zinc finger CCCH-type antiviral protein 1	Delta Tm	0.44	degrees C	10.1016/j.ejmech.2018.06.047
None	Unchecked	FC	1.11	None	10.1016/j.bmcl.2015.07.016
None	Unchecked	Ki	62.0	nM	10.1016/j.bmcl.2011.02.057
None	Unchecked	Ki	540.0	nM	10.1016/j.bmcl.2011.02.057
None	Unchecked	Ratio Ki	4.03	None	10.1016/j.bmcl.2011.02.057
None	Unchecked	Ratio Ki	35.2	None	10.1016/j.bmcl.2011.02.057

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT011756	COc1ccc(C#N)cc1>>COc1ccc(C(N)=O)cc1	enzymemap_84547