2-((2-hydroxyethyl)amino)benzoic acid
AlkaPlorer ID: AK123887
Synonym: None
IUPAC Name: 2-(2-hydroxyethylamino)benzoic acid
Structure
SMILES: O=C(O)C1=CC=CC=C1NCCO
InChI: InChI=1S/C9H11NO3/c11-6-5-10-8-4-2-1-3-7(8)9(12)13/h1-4,10-11H,5-6H2,(H,12,13)
InChIKey: KULNOANNPOGHQK-UHFFFAOYSA-N
Reference
PubChem CID: 117636
CAS: 25784-00-3
LOTUS: LTS0199336
COCONUT: CNP0454028
{NPAtlas: NPA027085
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cordyceps takaomontana | Cordyceps | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 181.191
TPSA？: 69.56
MolLogP？: 0.7889999999999999
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 28183.8 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 89125.1 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 50118.7 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 28183.8 | nM | None |
| Homo sapiens | Prenyl protein specific protease | AC50 | 5810.0 | nM | None |
| Homo sapiens | Sphingomyelin phosphodiesterase | Potency | 31622.8 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 18526.0 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 35481.3 | nM | None |
| Saccharomyces cerevisiae S288c | CAAX prenyl protease 2 | AC50 | 16080.0 | nM | None |
| Sus scrofa | Trypsin | AC50 | 8197.0 | nM | None |