Capsaicin; Hexadecanoyl analogue
AlkaPlorer ID: AK036063
Synonym: N-[(4-Hydroxy-3-methoxyphenyl)methyl]hexadecanamide, Palvanil
IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]hexadecanamide
Structure
SMILES: CCCCCCCCCCCCCCCC(O)=NCC1=CC=C(O)C(OC)=C1
InChI: InChI=1S/C24H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(27)25-20-21-17-18-22(26)23(19-21)28-2/h17-19,26H,3-16,20H2,1-2H3,(H,25,27)
InChIKey: SGEUEXJZQFSBNX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Capsicum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Capsicum annuum | Capsicum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 391.5960000000001
TPSA？: 62.05000000000001
MolLogP？: 7.338600000000008
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 | EFM-19 | IC50 | 1000.0 | nM | 10.1021/acs.jmedchem.0c01679 |
| Homo sapiens | HaCaT | Activity | nan | None | 10.1016/j.bmc.2010.12.046 |
| Homo sapiens | MCF7 | IC50 | 2200.0 | nM | 10.1021/acs.jmedchem.0c01679 |
| Homo sapiens | T47D | IC50 | 1600.0 | nM | 10.1021/acs.jmedchem.0c01679 |
| Mus musculus | RAW264.7 | Activity | nan | None | 10.1016/j.bmc.2010.12.046 |
| Rattus norvegicus | Transient receptor potential cation channel subfamily V member 2 | IC50 | 10000.0 | nM | 10.1021/acs.jmedchem.8b00734 |