1,2-di(1H-indol-3-yl)ethane
AlkaPlorer ID: AK077936
Synonym: None
IUPAC Name: 3-[2-(1H-indol-3-yl)ethyl]-1H-indole
Structure
SMILES: C1=CC=C2C(CCC3=CNC4=CC=CC=C34)=CNC2=C1
InChI: InChI=1S/C18H16N2/c1-3-7-17-15(5-1)13(11-19-17)9-10-14-12-20-18-8-4-2-6-16(14)18/h1-8,11-12,19-20H,9-10H2
InChIKey: MQZPYETZVNYYQX-UHFFFAOYSA-N
Reference
Indole alkaloids from the marine bacterium Pantoea agglomerans
PubChem CID: 11832167
LOTUS: LTS0258773
COCONUT: CNP0112830
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pantoea agglomerans | Pantoea | Erwiniaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 260.34000000000003
TPSA？: 31.58
MolLogP？: 4.434400000000003
Number of H-Donors: 2
Number of H-Acceptors: 0
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Staphylococcus aureus (strain MRSA252) | Pyruvate kinase | IC50 | 57300.0 | nM | 10.1016/j.bmcl.2014.09.010 |