3-Amino-4-hydroxybenzyl alcohol; 1-Me ether, N-Ac
AlkaPlorer ID: AK006992
Synonym: 2-Acetamido-4-(methoxymethyl)phenol, Venezueline G
IUPAC Name: N-[2-hydroxy-5-(methoxymethyl)phenyl]acetamide
Structure
SMILES: COCC1=CC=C(O)C(N=C(C)O)=C1
InChI: InChI=1S/C10H13NO3/c1-7(12)11-9-5-8(6-14-2)3-4-10(9)13/h3-5,13H,6H2,1-2H3,(H,11,12)
InChIKey: KYIFKTLQOTZUGR-UHFFFAOYSA-N
Reference
PubChem CID: 71517377
LOTUS: LTS0014449
NPASS: NPC313466
COCONUT: CNP0351018
{NPAtlas: NPA000156
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces venezuelae | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 195.218
TPSA？: 62.05
MolLogP？: 2.1465
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 50.0 | ug.mL-1 | 10.1016/j.bmcl.2012.10.096 |
| Homo sapiens | A549 | IC50 | 50.0 | ug.mL-1 | 10.1016/j.bmcl.2012.10.096 |
| Homo sapiens | BGC-823 | IC50 | 50.0 | ug.mL-1 | 10.1016/j.bmcl.2012.10.096 |
| Homo sapiens | HCT-8 | IC50 | 50.0 | ug.mL-1 | 10.1016/j.bmcl.2012.10.096 |
| None | NON-PROTEIN TARGET | IC50 | 50.0 | ug.mL-1 | 10.1016/j.bmcl.2012.10.096 |