4-Aminobenzoic acid; N-Hexadecyl
AlkaPlorer ID: AK263705
Synonym: Cetaben, CL 203821, PHB
IUPAC Name: 4-(hexadecylamino)benzoic acid
Structure
SMILES: CCCCCCCCCCCCCCCCNC1=CC=C(C(=O)O)C=C1
InChI: InChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-22-18-16-21(17-19-22)23(25)26/h16-19,24H,2-15,20H2,1H3,(H,25,26)
InChIKey: QXWKHSSBFQDQPR-UHFFFAOYSA-N
Reference
Withanolide A series steroidal lactones from Eucalyptus globulus bark
PubChem CID: 47263
CAS: 55986-43-1
SuperNatural Ⅲ: SN0318125
COCONUT: CNP0257891
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 361.57
TPSA？: 49.33
MolLogP？: 7.278000000000008
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 | Histone deacetylase 6 | Inhibition | -17.05 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 2.63 | % | 10.6019/CHEMBL4808148 |
| Rattus norvegicus | Acyl coenzyme A:cholesterol acyltransferase 1 | Inhibition | 57.0 | % | 10.1021/jm00364a009 |
| Rattus norvegicus | Acyl coenzyme A:cholesterol acyltransferase 1 | Inhibition | 57.0 | % | 10.1021/jm00364a010 |
| Rattus norvegicus | Acyl coenzyme A:cholesterol acyltransferase 1 | Inhibition | 57.0 | % | 10.1021/jm00364a011 |
| Rattus norvegicus | Rattus norvegicus | Diet | 31.0 | % | 10.1021/jm00364a009 |
| Rattus norvegicus | Rattus norvegicus | Diet | 31.0 | % | 10.1021/jm00364a010 |
| Rattus norvegicus | Rattus norvegicus | Diet | 31.0 | % | 10.1021/jm00364a011 |
| Rattus norvegicus | Rattus norvegicus | Diet | 45.0 | % | 10.1021/jm00364a009 |
| Rattus norvegicus | Rattus norvegicus | Diet | 45.0 | % | 10.1021/jm00364a010 |
| Rattus norvegicus | Rattus norvegicus | Diet | 45.0 | % | 10.1021/jm00364a011 |
| Rattus norvegicus | Rattus norvegicus | Diet | 54.0 | % | 10.1021/jm00364a009 |
| Rattus norvegicus | Rattus norvegicus | Diet | 54.0 | % | 10.1021/jm00364a010 |
| Rattus norvegicus | Rattus norvegicus | Diet | 54.0 | % | 10.1021/jm00364a011 |
| Rattus norvegicus | Rattus norvegicus | Diet | 71.0 | % | 10.1021/jm00364a009 |
| Rattus norvegicus | Rattus norvegicus | Diet | 71.0 | % | 10.1021/jm00364a010 |
| Rattus norvegicus | Rattus norvegicus | Diet | 71.0 | % | 10.1021/jm00364a011 |
| Rattus norvegicus | Rattus norvegicus | Diet | 72.0 | % | 10.1021/jm00364a009 |
| Rattus norvegicus | Rattus norvegicus | Diet | 72.0 | % | 10.1021/jm00364a010 |
| Rattus norvegicus | Rattus norvegicus | Diet | 72.0 | % | 10.1021/jm00364a011 |
| Rotavirus | Rotavirus | ED50 | 11.3 | uM | 10.1016/j.ejmech.2012.02.010 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 32.54 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | -3.94 | % | 10.21203/rs.3.rs-23951/v1 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 4.99 | % | 10.6019/CHEMBL4495565 |
| None | ADMET | TD50 | 75.5 | uM | 10.1016/j.ejmech.2012.02.010 |
| None | Unchecked | IC50 | 367.3 | nM | None |
| None | Unchecked | IC50 | 10000.0 | nM | None |