Spongotine C
AlkaPlorer ID: AK082912
Synonym: '(-)-Spongotine C'
IUPAC Name: (6-bromo-1H-indol-3-yl)-[(5S)-5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]methanone
Structure
SMILES: O=C(C1=N[C@@H](C2=CNC3=CC(Br)=CC=C23)CN1)C1=CNC2=CC(Br)=CC=C12
InChI: InChI=1S/C20H14Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(26-18)19(27)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18,23-24H,9H2,(H,25,26)/t18-/m1/s1
InChIKey: YFOAHBJMHACINK-GOSISDBHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 486.16700000000014
TPSA？: 73.03999999999999
MolLogP？: 5.099900000000002
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus aethiops | BSC-1 | IC50 | 31000.0 | nM | 10.1021/acs.jnatprod.7b00452 |
| Escherichia coli | Escherichia coli | MIC | 100.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00452 |
| Homo sapiens | HCT-116 | IC50 | 27000.0 | nM | 10.1021/acs.jnatprod.7b00452 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | 9500.0 | nM | 10.1021/acs.jnatprod.7b00452 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | 12000.0 | nM | 10.1021/acs.jnatprod.7b00452 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 1.1 | ug.mL-1 | 10.1021/acs.jnatprod.7b00452 |