Suberedamine A
AlkaPlorer ID: AK041878
Synonym: None
IUPAC Name: (2S)-2-amino-3-(3-bromo-4-methoxyphenyl)-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]propanamide
Structure
SMILES: COC1=CC=C(C[C@H](N)C(=O)NCCC2=CC(Br)=C(OCCCN(C)C)C(Br)=C2)C=C1Br
InChI: InChI=1S/C23H30Br3N3O3/c1-29(2)9-4-10-32-22-18(25)12-16(13-19(22)26)7-8-28-23(30)20(27)14-15-5-6-21(31-3)17(24)11-15/h5-6,11-13,20H,4,7-10,14,27H2,1-3H3,(H,28,30)/t20-/m0/s1
InChIKey: CPOMDHYOIBOZBW-FQEVSTJZSA-N
Reference
Suberedamines A and B, New Bromotyrosine Alkaloids from a Sponge <i>Suberea</i> Species
PubChem CID: 10484217
LOTUS: LTS0097830
SuperNatural Ⅲ: SN0052193-01
NPASS: NPC47672
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Suberea | Aplysinellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 636.2230000000002
TPSA？: 76.82
MolLogP？: 4.5419000000000045
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Bacillus subtilis | Bacillus subtilis | MIC | 64000.0 | ug.mL-1 | 10.1021/np300102z |
| Burkholderia cepacia | Burkholderia cepacia | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Candida albicans | Candida albicans | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Enterobacter cloacae | Enterobacter cloacae | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Enterococcus faecium | Enterococcus faecium | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Escherichia coli | Escherichia coli | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Homo sapiens | CCF-STTG1 | Activity | nan | None | 10.1021/np500119e |
| Homo sapiens | KB | IC50 | 9.0 | ug.mL-1 | 10.1021/np010077g |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Listeria monocytogenes | Listeria monocytogenes | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Micrococcus luteus | Micrococcus luteus | MIC | 12.6 | ug.mL-1 | 10.1021/np010077g |
| Mus musculus | L1210 | IC50 | 8.0 | ug.mL-1 | 10.1021/np010077g |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 50.0 | ug.mL-1 | 10.1021/np300102z |
| Nakaseomyces glabratus | Nakaseomyces glabratus | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Providencia rettgeri | Providencia rettgeri | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Serratia marcescens | Serratia marcescens | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 64000.0 | ug.mL-1 | 10.1021/np300102z |
| Streptococcus pyogenes | Streptococcus pyogenes | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |
| Yersinia enterocolitica | Yersinia enterocolitica | MIC | 128000.0 | ug.mL-1 | 10.1021/np300102z |