Marinoquinoline B
AlkaPlorer ID: AK076516
Synonym: '4-Isobutyl-3H-pyrrolo2,3-cquinoline', 'Marinoquinoline B'
IUPAC Name: 4-(2-methylpropyl)-3H-pyrrolo[2,3-c]quinoline
Structure
SMILES: CC(C)CC1=NC2=CC=CC=C2C2=C1NC=C2
InChI: InChI=1S/C15H16N2/c1-10(2)9-14-15-12(7-8-16-15)11-5-3-4-6-13(11)17-14/h3-8,10,16H,9H2,1-2H3
InChIKey: LEWFRNLLNXKYJJ-UHFFFAOYSA-N
Reference
Marinoquinolines A−F, Pyrroloquinolines from <i>Ohtaekwangia kribbensis</i> (Bacteroidetes)
PubChem CID: 52952003
LOTUS: LTS0231519
NPASS: NPC324828
COCONUT: CNP0112785
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ohtaekwangia kribbensis | Ohtaekwangia | Fulvivirgaceae | Cytophagales | Cytophagia | Bacteroidota | None | Bacteria |
Properties Information
Molecule Weight: 224.307
TPSA？: 28.68
MolLogP？: 3.9146000000000014
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | IC50 | 3600.0 | nM | 10.1016/j.ejmech.2022.114206 |
| Homo sapiens | HepG2 | EC50 | 250000.0 | nM | 10.1021/acs.jmedchem.8b00143 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 22600.0 | nM | 10.1016/j.ejmech.2022.114206 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 4100.0 | nM | 10.1021/acs.jmedchem.8b00143 |
| None | ADMET | TI | 61.0 | None | 10.1021/acs.jmedchem.8b00143 |