3,4-Dihydroxybenzylamine; Di-Me ether, N-hexadecanoyl
AlkaPlorer ID: AK255396
Synonym: N-(3,4-Dimethoxybenzyl)hexadecanamide
IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]hexadecanamide
Structure
SMILES: CCCCCCCCCCCCCCCC(O)=NCC1=CC=C(OC)C(OC)=C1
InChI: InChI=1S/C25H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(27)26-21-22-18-19-23(28-2)24(20-22)29-3/h18-20H,4-17,21H2,1-3H3,(H,26,27)
InChIKey: LVPBNUHMEAUHHS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lepidium meyenii | Lepidium | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 405.62300000000016
TPSA？: 51.05000000000001
MolLogP？: 7.641600000000008
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Epoxide hydratase | IC50 | 7059.0 | nM | 10.1021/acs.jnatprod.0c00938 |
| Mus musculus | Epoxide hydratase | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.0c00938 |
| Rattus norvegicus | Epoxide hydrolase 2 | IC50 | 15910.0 | nM | 10.1021/acs.jnatprod.0c00938 |