Molecule

(4-Hydroxy-3-nitrophenyl)acetic acid

AlkaPlorer ID: AK301634

Synonym: 4-Hydroxy-3-nitrobenzeneacetic acid, T 0007B1, Antibiotic T 0007B1

IUPAC Name: 2-(4-hydroxy-3-nitrophenyl)acetic acid

Structure

SMILES: O=C(O)CC1=CC([N+](=O)[O-])=C(O)C=C1

InChI: InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)

InChIKey: QBHBHOSRLDPIHG-UHFFFAOYSA-N

Reference

4-Hydroxy-3-nitrophenylacetic and Sinapic Acids as Antibacterial Compounds from Mustard Seeds

PubChem CID: 447364

CAS: 10463-20-4

LOTUS: LTS0193299

SuperNatural Ⅲ: SN0300714

NPASS: NPC102699

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Sinapis alba	Sinapis	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Polyporus tuberaster	Polyporus	Polyporaceae	Polyporales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Bryoria implexa	Bryoria	Parmeliaceae	Lecanorales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Viola philippica	Viola	Violaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces hygroscopicus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Senecio chrysocoma	Senecio	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Protea neriifolia	Protea	Proteaceae	Proteales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Glycosmis trichanthera	Glycosmis	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 197.146

TPSA？: 100.67

MolLogP？: 0.9275

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	3-phosphoinositide dependent protein kinase-1	Thermal melting change	-0.6	degrees C	10.1073/pnas.0708800104
Homo sapiens	AMP-activated protein kinase, alpha-2 subunit	Thermal melting change	0.1	degrees C	10.1073/pnas.0708800104
Homo sapiens	CaM kinase I delta	Thermal melting change	0.0	degrees C	10.1073/pnas.0708800104
Homo sapiens	CaM kinase I gamma	Thermal melting change	0.6	degrees C	10.1073/pnas.0708800104
Homo sapiens	CaM kinase II alpha	Thermal melting change	1.4	degrees C	10.1073/pnas.0708800104
Homo sapiens	CaM kinase II beta	Thermal melting change	0.6	degrees C	10.1073/pnas.0708800104
Homo sapiens	CaM kinase II delta	Thermal melting change	0.9	degrees C	10.1073/pnas.0708800104
Homo sapiens	CaM kinase II gamma	Thermal melting change	-0.1	degrees C	10.1073/pnas.0708800104
Homo sapiens	CaM kinase IV	Thermal melting change	3.3	degrees C	10.1073/pnas.0708800104
Homo sapiens	CaM-kinase kinase beta	Thermal melting change	-0.1	degrees C	10.1073/pnas.0708800104
Homo sapiens	cAMP-dependent protein kinase alpha-catalytic subunit	Thermal melting change	-0.9	degrees C	10.1073/pnas.0708800104
Homo sapiens	Casein kinase I gamma 1	Thermal melting change	0.3	degrees C	10.1073/pnas.0708800104
Homo sapiens	Casein kinase I gamma 2	Thermal melting change	1.0	degrees C	10.1073/pnas.0708800104
Homo sapiens	Casein kinase I isoform gamma-3	Thermal melting change	0.5	degrees C	10.1073/pnas.0708800104
Homo sapiens	Cyclin-dependent kinase 2	Thermal melting change	1.1	degrees C	10.1073/pnas.0708800104
Homo sapiens	Cyclin-dependent kinase 6	Thermal melting change	0.1	degrees C	10.1073/pnas.0708800104
Homo sapiens	Cyclin-dependent kinase-like 1	Thermal melting change	1.2	degrees C	10.1073/pnas.0708800104
Homo sapiens	Death-associated protein kinase 3	Thermal melting change	0.5	degrees C	10.1073/pnas.0708800104
Homo sapiens	Dual specificity mitogen-activated protein kinase kinase 2	Thermal melting change	0.1	degrees C	10.1073/pnas.0708800104
Homo sapiens	Dual specificity mitogen-activated protein kinase kinase 6	Thermal melting change	0.0	degrees C	10.1073/pnas.0708800104
Homo sapiens	Dual specificity protein kinase CLK2	Thermal melting change	0.5	degrees C	10.1073/pnas.0708800104
Homo sapiens	Dual specificity protein kinase CLK3	Thermal melting change	-0.6	degrees C	10.1073/pnas.0708800104
Homo sapiens	Dual specificty protein kinase CLK1	Thermal melting change	-0.6	degrees C	10.1073/pnas.0708800104
Homo sapiens	Glycogen synthase kinase-3 beta	Thermal melting change	0.6	degrees C	10.1073/pnas.0708800104
Homo sapiens	Inactive serine/threonine-protein kinase VRK3	Thermal melting change	-0.3	degrees C	10.1073/pnas.0708800104
Homo sapiens	MAP kinase ERK1	Thermal melting change	-0.2	degrees C	10.1073/pnas.0708800104
Homo sapiens	MAP kinase p38 beta	Thermal melting change	0.8	degrees C	10.1073/pnas.0708800104
Homo sapiens	Mitogen-activated protein kinase 6	Thermal melting change	0.8	degrees C	10.1073/pnas.0708800104
Homo sapiens	Mitogen-activated protein kinase kinase kinase 5	Thermal melting change	-0.7	degrees C	10.1073/pnas.0708800104
Homo sapiens	Myotonin-protein kinase	Thermal melting change	1.6	degrees C	10.1073/pnas.0708800104
Homo sapiens	PDZ-binding kinase	Thermal melting change	0.6	degrees C	10.1073/pnas.0708800104
Homo sapiens	Ribosomal protein S6 kinase alpha 3	Thermal melting change	-0.1	degrees C	10.1073/pnas.0708800104
Homo sapiens	Ribosomal protein S6 kinase alpha 3	Thermal melting change	1.1	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase 10	Thermal melting change	0.0	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase 16	Thermal melting change	0.4	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase 17A	Thermal melting change	-0.5	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase 2	Thermal melting change	0.0	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase 25	Thermal melting change	nan	None	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase 38	Thermal melting change	2.0	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase Chk2	Thermal melting change	-0.8	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase MST1	Thermal melting change	0.4	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase MST4	Thermal melting change	-0.4	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase MST4	Thermal melting change	1.1	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase NEK2	Thermal melting change	1.9	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase NEK6	Thermal melting change	0.5	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase OSR1	Thermal melting change	0.0	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase PAK 4	Thermal melting change	1.2	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase PAK6	Thermal melting change	-0.9	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase PAK7	Thermal melting change	0.1	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase PCTAIRE-1	Thermal melting change	-1.2	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase PIM1	Thermal melting change	0.2	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase PIM2	Thermal melting change	-0.1	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase PIM3	Thermal melting change	0.1	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase PLK1	Thermal melting change	0.4	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase PLK4	Thermal melting change	0.8	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase RIO2	Thermal melting change	-0.1	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase VRK1	Thermal melting change	0.4	degrees C	10.1073/pnas.0708800104
Homo sapiens	Serine/threonine-protein kinase VRK2	Thermal melting change	0.3	degrees C	10.1073/pnas.0708800104
Homo sapiens	TRAF2- and NCK-interacting kinase	Thermal melting change	-0.2	degrees C	10.1073/pnas.0708800104
Homo sapiens	Tyrosine-protein kinase JAK1	Thermal melting change	-0.3	degrees C	10.1073/pnas.0708800104
None	Unchecked	Activity	nan	None	10.1021/np50126a026