28926-40-1
AlkaPlorer ID: AK050479
Synonym: '3,3-Bis-(3-indolyl)butan-2-one'
IUPAC Name: 3,3-bis(1H-indol-3-yl)butan-2-one
Structure
SMILES: CC(=O)C(C)(C1=CNC2=CC=CC=C12)C1=CNC2=CC=CC=C12
InChI: InChI=1S/C20H18N2O/c1-13(23)20(2,16-11-21-18-9-5-3-7-14(16)18)17-12-22-19-10-6-4-8-15(17)19/h3-12,21-22H,1-2H3
InChIKey: SJAXSVWJQZVKSD-UHFFFAOYSA-N
Reference
New Indole Alkaloids from the North Sea Bacterium <i>Vibrio parahaemolyticus</i> Bio249
PubChem CID: 21597453
LOTUS: LTS0211932
COCONUT: CNP0105125
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vibrio parahaemolyticus | Vibrio | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 302.37700000000007
TPSA？: 48.65
MolLogP？: 4.544200000000003
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | Activity | nan | None | 10.1021/np030288g |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np030288g |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np030288g |
| Rhizomucor miehei | Rhizomucor miehei | Activity | nan | None | 10.1021/np030288g |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np030288g |
| Streptomyces viridochromogenes | Streptomyces viridochromogenes | Activity | nan | None | 10.1021/np030288g |
| Zika virus | Zika virus | EC50 | 18000.0 | nM | 10.1021/acs.jnatprod.0c00717 |