None
AlkaPlorer ID: AK324746
Synonym: None
IUPAC Name: 4-bromo-2-(2,2-dimethylbut-3-enoylamino)benzoic acid
Structure
SMILES: C=CC(C)(C)C(O)=NC1=CC(Br)=CC=C1C(=O)O
InChI: InChI=1S/C13H14BrNO3/c1-4-13(2,3)12(18)15-10-7-8(14)5-6-9(10)11(16)17/h4-7H,1H2,2-3H3,(H,15,18)(H,16,17)
InChIKey: OWYAZUUNYLDSNO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Flustra foliacea | Flustra | Flustridae | Cheilostomatida | Gymnolaemata | Bryozoa | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 312.16300000000007
TPSA？: 69.89
MolLogP？: 3.9475000000000025
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Dendritic cell | Activity | 45.0 | % | 10.1021/acs.jnatprod.0c00126 |
| None | Dendritic cell | Activity | nan | None | 10.1021/acs.jnatprod.0c00126 |