Molecule

4-Hydroxyphenylacetic acid; Amide

AlkaPlorer ID: AK019168

Synonym: 4-Hydroxybenzeneacetamide, p-Hydroxyphenylacetamide

IUPAC Name: 2-(4-hydroxyphenyl)acetamide

Structure

SMILES: NC(=O)CC1=CC=C(O)C=C1

InChI: InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)

InChIKey: YBPAYPRLUDCSEY-UHFFFAOYSA-N

Reference

Mutagens from roasted seeds of Moringa oleifera

PubChem CID: 86986

CAS: 17194-82-0

LOTUS: LTS0243835

SuperNatural Ⅲ: SN0445879

NPASS: NPC107619

COCONUT: CNP0147884

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NPAtlas: NPA016090

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cytophaga sp.	Cytophaga	Cytophagaceae	Cytophagales	Cytophagia	Bacteroidota	None	Bacteria
None	Cytophaga	Cytophagaceae	Cytophagales	Cytophagia	Bacteroidota	None	Bacteria

Properties Information

Molecule Weight: 151.165

TPSA？: 63.32000000000001

MolLogP？: 0.4199999999999999

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	Bacillus subtilis	Activity	nan	None	10.1021/np020019a
Candida albicans	Candida albicans	Activity	nan	None	10.1021/np020019a
Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Carbonic anhydrase	Ki	910.0	nM	10.1021/jm1013242
Cryptococcus neoformans var. grubii	Carbonic anhydrase 2	Ki	840.0	nM	10.1021/jm1013242
Escherichia coli	Escherichia coli	Activity	nan	None	10.1021/np020019a
Homo sapiens	Carbonic anhydrase I	Ki	309000.0	nM	10.1021/jm1013242
Homo sapiens	Carbonic anhydrase I	Kinact	309.0	uM	10.1016/j.bmc.2009.11.021
Homo sapiens	Carbonic anhydrase II	Ki	11200.0	nM	10.1021/jm1013242
Homo sapiens	Carbonic anhydrase II	Kinact	11.2	uM	10.1016/j.bmc.2009.11.021
Homo sapiens	Carbonic anhydrase VA	Kinact	92.0	nM	10.1016/j.bmc.2009.11.021
Homo sapiens	Carbonic anhydrase VB	Kinact	81.0	nM	10.1016/j.bmc.2009.11.021
Mycobacterium tuberculosis	PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	Ki	9120.0	nM	10.1021/jm1013242
Mycobacterium tuberculosis	Uncharacterized protein Rv1284/MT1322	FC	75.0	None	10.1021/jm1013242
Mycobacterium tuberculosis	Uncharacterized protein Rv1284/MT1322	Ki	850.0	nM	10.1021/jm1013242
Rhizomucor miehei	Rhizomucor miehei	Activity	nan	None	10.1021/np020019a
Staphylococcus aureus	Staphylococcus aureus	Activity	nan	None	10.1021/np020019a
Streptomyces viridochromogenes	Streptomyces viridochromogenes	Activity	nan	None	10.1021/np020019a
None	Unchecked	Ratio Ki	1.2	None	10.1021/jm1013242
None	Unchecked	Ratio Ki	12.3	None	10.1021/jm1013242
None	Unchecked	Ratio Ki	13.2	None	10.1021/jm1013242
None	Unchecked	Ratio Ki	13.3	None	10.1021/jm1013242
None	Unchecked	Ratio Ki	33.9	None	10.1021/jm1013242
None	Unchecked	Ratio Ki	339.6	None	10.1021/jm1013242
None	Unchecked	Ratio Ki	363.5	None	10.1021/jm1013242
None	Unchecked	Ratio Ki	367.9	None	10.1021/jm1013242
None	Unchecked	Selectivity ratio	121.0	None	10.1016/j.bmc.2009.11.021
None	Unchecked	Selectivity ratio	138.0	None	10.1016/j.bmc.2009.11.021
None	Unchecked	Selectivity ratio	3358.0	None	10.1016/j.bmc.2009.11.021
None	Unchecked	Selectivity ratio	3814.0	None	10.1016/j.bmc.2009.11.021

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT015656	N#CCc1ccc(O)cc1>>NC(=O)Cc1ccc(O)cc1	enzymemap_84445
AKRT019964	N[C@@H](Cc1ccc(O)cc1)C(=O)O>>NC(=O)Cc1ccc(O)cc1	enzymemap_10428
AKRT020038	N[C@@H](Cc1ccccc1)C(=O)O.NC(=O)Cc1ccc(O)cc1>>O=C(Cc1ccc(O)cc1)N[C@@H](Cc1ccccc1)C(=O)O	enzymemap_76084