Molecule

5-[(S)-amino(carboxy)methyl]-2-hydroxybenzoic acid

AlkaPlorer ID: AK047026

Synonym: None

IUPAC Name: 5-[(S)-amino(carboxy)methyl]-2-hydroxybenzoic acid

Structure

SMILES: N[C@H](C(=O)O)C1=CC=C(O)C(C(=O)O)=C1

InChI: InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-6(11)5(3-4)8(12)13/h1-3,7,11H,10H2,(H,12,13)(H,14,15)/t7-/m0/s1

InChIKey: CHZBCZTXSTWCIG-ZETCQYMHSA-N

Reference

Acidic amino acids in Reseda luteola

PubChem CID: 5311460

CAS: 55136-48-6

LOTUS: LTS0008965

SuperNatural Ⅲ: SN0046236-01

NPASS: NPC13696

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Artemisia borealis	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Haplophyllum acutifolium	Haplophyllum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Caylusea abyssinica	Caylusea	Resedaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Heracleum dissectum	Heracleum	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Turraea wakefieldii	Turraea	Meliaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Thryptomene saxicola	Thryptomene	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 211.173

TPSA？: 120.85

MolLogP？: 0.1747999999999995

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	4'-phosphopantetheinyl transferase ffp	Potency	19952.6	nM	None
Bacillus subtilis	4'-phosphopantetheinyl transferase ffp	Potency	89125.1	nM	None
Homo sapiens	15-hydroxyprostaglandin dehydrogenase [NAD+]	Potency	35481.3	nM	None
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	3548.1	nM	None
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	25118.9	nM	None
Homo sapiens	Cytochrome P450 1A2	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	Potency	39810.7	nM	None
Homo sapiens	Cytochrome P450 2C9	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2D6	AC50	nan	None	None
Homo sapiens	Cytochrome P450 3A4	AC50	nan	None	None
Homo sapiens	DNA-(apurinic or apyrimidinic site) lyase	Potency	39810.7	nM	None
Homo sapiens	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Potency	39810.7	nM	None
Homo sapiens	Histone acetyltransferase GCN5	Potency	39810.7	nM	None
Homo sapiens	Histone deacetylase 6	Inhibition	-8.79	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	-4.47	%	10.6019/CHEMBL4808148
Homo sapiens	Lysine-specific demethylase 4D-like	Potency	35481.3	nM	None
Homo sapiens	Menin/Histone-lysine N-methyltransferase MLL	Potency	39810.7	nM	None
Homo sapiens	Metabotropic glutamate receptor 1	IC50	40000.0	nM	10.1021/jm060950g
Homo sapiens	Metabotropic glutamate receptor 1	IC50	290000.0	nM	10.1021/jm9601718
Homo sapiens	Regulator of G-protein signaling 4	Potency	8436.8	nM	None
Homo sapiens	Regulator of G-protein signaling 4	Potency	37685.8	nM	None
Homo sapiens	Runt-related transcription factor 1/Core-binding factor subunit beta	Potency	39810.7	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	50118.7	nM	None
Rattus norvegicus	Amino acid transporter	Inhibition	25.0	%	None
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	14.4	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	-0.78	%	10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	-0.12	%	10.6019/CHEMBL4495565