N-[2-(4-Hydroxyphenyl)ethyl]-3-methyl-2-dodecenamide; (Z)-form
AlkaPlorer ID: AK301842
Synonym: None
IUPAC Name: (Z)-N-[2-(4-hydroxyphenyl)ethyl]-3-methyldodec-2-enamide
Structure
SMILES: CCCCCCCCC/C(C)=C\C(O)=NCCC1=CC=C(O)C=C1
InChI: InChI=1S/C21H33NO2/c1-3-4-5-6-7-8-9-10-18(2)17-21(24)22-16-15-19-11-13-20(23)14-12-19/h11-14,17,23H,3-10,15-16H2,1-2H3,(H,22,24)/b18-17-
InChIKey: NBUAIVBXANEDGZ-ZCXUNETKSA-N
Reference
PubChem CID: 21773786
CAS: 75513-94-9
LOTUS: LTS0210113
SuperNatural Ⅲ: SN0241225-01
NPASS: NPC142297
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sinularia flexibilis | Sinularia | Sinulariidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
| Muricea austera | Muricea | Plexauridae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
| Sinularia erecta | Sinularia | Sinulariidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 331.5
TPSA？: 52.82000000000001
MolLogP？: 5.978200000000006
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 | CCRF-CEM | IC50 | 6300.0 | nM | 10.1021/acs.jnatprod.5b01142 |
| Homo sapiens | MOLT-4 | IC50 | 9700.0 | nM | 10.1021/acs.jnatprod.5b01142 |
| Homo sapiens | Neutrophil | IC50 | 1000.0 | nM | 10.1021/acs.jnatprod.5b01142 |
| Homo sapiens | Neutrophil | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.5b01142 |
| Homo sapiens | Neutrophil | Inhibition | 48.0 | % | 10.1021/acs.jnatprod.5b01142 |
| Homo sapiens | Neutrophil | Inhibition | 102.0 | % | 10.1021/acs.jnatprod.5b01142 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 36000.0 | nM | 10.1021/np060007f |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 50000.0 | nM | 10.1021/np060007f |