4-Hydroxybenzylamine
AlkaPlorer ID: AK035017
Synonym: 4-(Aminomethyl)phenol, α-Amino-p-cresol
IUPAC Name: 4-(aminomethyl)phenol
Structure
SMILES: NCC1=CC=C(O)C=C1
InChI: InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5,8H2
InChIKey: RQJDUEKERVZLLU-UHFFFAOYSA-N
Reference
Identification of Hydroxybenzylamines in Buckwheat Seeds (<i>Fagopyrum esculentum</i>Moench)
PubChem CID: 97472
CAS: 696-60-6
LOTUS: LTS0243287
SuperNatural Ⅲ: SN0332390
NPASS: NPC29601
COCONUT: CNP0106686
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 123.15499999999996
TPSA？: 46.25
MolLogP？: 0.8509
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 | Gamma-amino-N-butyrate transaminase | IC50 | 15400.0 | nM | 10.1016/j.bmcl.2005.10.040 |
| Homo sapiens | MCF7 | Activity | nan | None | 10.1016/j.bmcl.2018.11.055 |
| Homo sapiens | Succinate semialdehyde dehydrogenase | IC50 | 1000000.0 | nM | 10.1016/j.bmcl.2005.10.040 |
| Zea mays | Cytokinin dehydrogenase 1 | Kcat | 0.871 | /s | 10.1016/j.bmc.2009.01.041 |
| Zea mays | Cytokinin dehydrogenase 1 | Kcat/Km | 0.1583 | None | 10.1016/j.bmc.2009.01.041 |
| Zea mays | Cytokinin dehydrogenase 1 | Km | 5500.0 | nM | 10.1016/j.bmc.2009.01.041 |