discorhabdin E
AlkaPlorer ID: AK015550
Synonym: None
IUPAC Name: (3S)-2'-bromo-8-hydroxyspiro[6,10,15-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),8,10,12(16)-pentaene-3,4'-cyclohexa-2,5-diene]-1'-one
Structure
SMILES: O=C1C=C[C@]2(C=C1Br)CCNC1=C2C2=NCCC3=CNC(=C23)C1=O
InChI: InChI=1S/C18H14BrN3O2/c19-10-7-18(3-1-11(10)23)4-6-21-16-13(18)14-12-9(2-5-20-14)8-22-15(12)17(16)24/h1,3,7-8,21-22H,2,4-6H2/t18-/m1/s1
InChIKey: JDWKHDMGELDYEC-GOSISDBHSA-N
Reference
NPASS: NPC79777
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Sceptrella | Latrunculiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 384.2330000000002
TPSA？: 74.32
MolLogP？: 2.2077
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 50.0 | ug.mL-1 | 10.1021/np9005629 |
| Escherichia coli | Escherichia coli | MIC | 100.0 | ug.mL-1 | 10.1021/np9005629 |
| Homo sapiens | K562 | IC50 | 1300.0 | nM | 10.1021/np9005629 |
| Micrococcus luteus | Micrococcus luteus | MIC | 50.0 | ug.mL-1 | 10.1021/np9005629 |
| Proteus vulgaris | Proteus vulgaris | MIC | 25.0 | ug.mL-1 | 10.1021/np9005629 |
| Salmonella enterica | Salmonella enterica | MIC | 50.0 | ug.mL-1 | 10.1021/np9005629 |
| Staphylococcus aureus | Sortase A | IC50 | 186100.0 | nM | 10.1021/np9005629 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 100.0 | ug.mL-1 | 10.1021/np9005629 |