2-Bromo-3,6-dihydroxyphenylacetic acid; 3-Me ether, amide
AlkaPlorer ID: AK014147
Synonym: 2-Bromo-6-hydroxy-3-methoxyphenylacetamide, Subereaphenol D
IUPAC Name: 2-(2-bromo-6-hydroxy-3-methoxyphenyl)acetamide
Structure
SMILES: COC1=CC=C(O)C(CC(=N)O)=C1Br
InChI: InChI=1S/C9H10BrNO3/c1-14-7-3-2-6(12)5(9(7)10)4-8(11)13/h2-3,12H,4H2,1H3,(H2,11,13)
InChIKey: MPLYVLNQUBGCNX-UHFFFAOYSA-N
Reference
Brominated Arginine-Derived Alkaloids from the Red Sea Sponge <i>Suberea mollis</i>
PubChem CID: 53344603
LOTUS: LTS0148651
NPASS: NPC158078
COCONUT: CNP0132890
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Suberea | Aplysinellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 260.087
TPSA？: 73.54
MolLogP？: 2.24107
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | IZ | 20.0 | mm | 10.1021/np200120d |
| Escherichia coli | Escherichia coli | IZ | 18.0 | mm | 10.1021/np200120d |
| Homo sapiens | HeLa | IC50 | 19000.0 | nM | 10.1016/j.ejmech.2021.113491 |
| Homo sapiens | HeLa | IC50 | 19000.0 | nM | 10.1021/np200120d |
| Staphylococcus aureus | Staphylococcus aureus | IZ | 10.0 | mm | 10.1021/np200120d |
| None | Radical scavenging activity | Activity | nan | None | 10.1021/np200120d |