5-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}-1,3-oxazolidin-2-one
AlkaPlorer ID: AK117343
Synonym: None
IUPAC Name: (5S)-5-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]-1,3-oxazolidin-2-one
Structure
SMILES: CN(C)CCCOC1=C(Br)C=C([C@H]2CN=C(O)O2)C=C1Br
InChI: InChI=1S/C14H18Br2N2O3/c1-18(2)4-3-5-20-13-10(15)6-9(7-11(13)16)12-8-17-14(19)21-12/h6-7,12H,3-5,8H2,1-2H3,(H,17,19)/t12-/m1/s1
InChIKey: ZNFKPSPBLHQVEJ-GFCCVEGCSA-N
Reference
Xanthanolides from Xanthium strumarium
Biological activities of sesquiterpene lactones
PubChem CID: 71665142
NPASS: NPC72721
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudoceratina verrucosa | Pseudoceratina | Pseudoceratinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 422.1170000000001
TPSA？: 54.290000000000006
MolLogP？: 3.527400000000002
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | Inhibition | 44.0 | % | 10.1021/np300648d |
| Homo sapiens | NFF | Inhibition | 29.0 | % | 10.1021/np300648d |
| Homo sapiens | PC-3 | Inhibition | 35.0 | % | 10.1021/np300648d |