2-(Methylamino)benzoic acid; Me ester
AlkaPlorer ID: AK017340
Synonym: Methyl N-methylanthranilate, FEMA 2718
IUPAC Name: methyl 2-(methylamino)benzoate
Structure
SMILES: CNC1=CC=CC=C1C(=O)OC
InChI: InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3
InChIKey: GVOWHGSUZUUUDR-UHFFFAOYSA-N
Reference
Constituents of the root bark of Murraya paniculata collected in Indonesia.
PubChem CID: 6826
CAS: 85-91-6
LOTUS: LTS0093066
SuperNatural Ⅲ: SN0116504
NPASS: NPC173295
COCONUT: CNP0130292
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Choisya ternata | Choisya | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 165.19199999999998
TPSA？: 38.33
MolLogP？: 1.5149
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 92.0 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 89125.1 | nM | None |
| Homo sapiens | DNA polymerase beta | Potency | 35481.3 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 1584.9 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 22387.2 | nM | None |
| Homo sapiens | Serine-protein kinase ATM | Potency | 31622.8 | nM | None |
| Homo sapiens | Sphingomyelin phosphodiesterase | Potency | 25118.9 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 522.1 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 9285.0 | nM | None |
| Rattus norvegicus | Rattus norvegicus | pLD50 | 8.13 | None | 10.1007/s00044-009-9162-3 |
| None | Unchecked | Potency | 1458.1 | nM | None |