2-Aminobenzyl alcohol
AlkaPlorer ID: AK103811
Synonym: 2-Aminobenzenemethanol, o-Aminophenylcarbinol, 2-(Hydroxymethyl)aniline
IUPAC Name: (2-aminophenyl)methanol
Structure
SMILES: NC1=CC=CC=C1CO
InChI: InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2
InChIKey: VYFOAVADNIHPTR-UHFFFAOYSA-N
Reference
Simple aromatic amines from justicia gendarussa. 13C NMR spectra of the bases and their analogues
PubChem CID: 21439
CAS: 5344-90-1
LOTUS: LTS0195169
SuperNatural Ⅲ: SN0403289
NPASS: NPC169597
COCONUT: CNP0420692
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 123.155
TPSA？: 46.25
MolLogP？: 0.7610999999999999
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HEK293 | Activity | 20.8 | % | 10.1016/j.bmc.2017.03.024 |
| Homo sapiens | HEK293 | Activity | 43.1 | % | 10.1016/j.bmc.2017.03.024 |
| Homo sapiens | HEK293 | Activity | nan | None | 10.1016/j.bmc.2017.03.024 |
| Homo sapiens | HEK293 | IC50 | 3600000.0 | nM | 10.1016/j.bmc.2017.03.024 |
| Homo sapiens | Pendrin | Activity | nan | None | 10.1016/j.bmc.2017.03.024 |
| Homo sapiens | Pendrin | Ratio | 0.9 | None | 10.1016/j.bmc.2017.03.024 |
| Homo sapiens | Pendrin | Ratio | 1.8 | None | 10.1016/j.bmc.2017.03.024 |
| Homo sapiens | Pendrin | Ratio | 100.0 | None | 10.1016/j.bmc.2017.03.024 |
| Homo sapiens | PI3-kinase p110-alpha/p85-alpha | Inhibition | 25.0 | % | 10.1016/j.bmc.2017.01.012 |
| Homo sapiens | PI3-kinase p110-alpha subunit | Inhibition | 25.0 | % | 10.1016/j.bmc.2017.01.012 |