Capsaicin; Octanoyl analogue
AlkaPlorer ID: AK022814
Synonym: N-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide
IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide
Structure
SMILES: CCCCCCCC(O)=NCC1=CC=C(O)C(OC)=C1
InChI: InChI=1S/C16H25NO3/c1-3-4-5-6-7-8-16(19)17-12-13-9-10-14(18)15(11-13)20-2/h9-11,18H,3-8,12H2,1-2H3,(H,17,19)
InChIKey: JYZDUDMWJFJCON-UHFFFAOYSA-N
Reference
Nachweis und Identifizierung neuer Scharfstoffe in Capsicum–Früchten
PubChem CID: 5316427
CAS: 58493-47-3
LOTUS: LTS0256730
SuperNatural Ⅲ: SN0179131
NPASS: NPC130595
COCONUT: CNP0169144
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strophanthus divaricatus | Strophanthus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Capsicum frutescens | Capsicum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 279.38
TPSA？: 62.05000000000001
MolLogP？: 4.217800000000003
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Mus musculus | Inhibition | 45.8 | % | 10.1021/jm00070a002 |
| Mus musculus | Mus musculus | Latency | 51.3 | None | 10.1021/jm00070a002 |
| Mus musculus | Mus musculus | Lethality | 90.0 | % | 10.1021/jm00070a002 |
| Mus musculus | Mus musculus | Response | 6.0 | None | 10.1021/jm00070a002 |