Capsaicin; Octadecanoyl analogue
AlkaPlorer ID: AK113034
Synonym: N-[(4-Hydroxy-3-methoxyphenyl)methyl]octadecanamide, Stevanil
IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]octadecanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCC(=O)NCC1=CC=C(O)C(OC)=C1
InChI: InChI=1S/C26H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h19-21,28H,3-18,22H2,1-2H3,(H,27,29)
InChIKey: SBFFPOWNFONUBK-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: 419.6500000000001
TPSA？: 58.56
MolLogP？: 7.278500000000009
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 | Vanilloid receptor | Log EC50 | nan | None | 10.1021/jm020844o |
| Homo sapiens | Vanilloid receptor | Response | 32.4 | % | 10.1021/jm020844o |
| Mus musculus | Mus musculus | Inhibition | 11.3 | % | 10.1021/jm00070a002 |
| Mus musculus | Mus musculus | Latency | 5.9 | None | 10.1021/jm00070a002 |
| Mus musculus | Mus musculus | Lethality | 0.0 | % | 10.1021/jm00070a002 |
| Mus musculus | Mus musculus | Response | 0.0 | None | 10.1021/jm00070a002 |
| Rattus norvegicus | Rattus norvegicus | Analgesia | 3.0 | % | 10.1021/jm00070a002 |
| Rattus norvegicus | Transient receptor potential cation channel subfamily V member 2 | IC50 | 10000.0 | nM | 10.1021/acs.jmedchem.8b00734 |
| Rattus norvegicus | Vanilloid receptor | EC50 | 100000.0 | nM | 10.1021/jm00068a016 |