174545-80-3
AlkaPlorer ID: AK065769
Synonym: None
IUPAC Name: 3-(1H-indol-3-ylmethyl)-1-methylindole
Structure
SMILES: CN1C=C(CC2=CNC3=CC=CC=C23)C2=CC=CC=C21
InChI: InChI=1S/C18H16N2/c1-20-12-14(16-7-3-5-9-18(16)20)10-13-11-19-17-8-4-2-6-15(13)17/h2-9,11-12,19H,10H2,1H3
InChIKey: POEXERAQSHGAMH-UHFFFAOYSA-N
Reference
Alkaloids of the Flora of Uzbekistan, Arundo donax
PubChem CID: 101999730
LOTUS: LTS0194180
COCONUT: CNP0289518
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Arundo donax | Arundo | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 260.34000000000003
TPSA？: 20.72
MolLogP？: 4.250400000000003
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Free fatty acid receptor 1 | Activity | nan | None | 10.1021/acs.jmedchem.6b01593 |
| Homo sapiens | G-protein coupled receptor 120 | Activity | nan | None | 10.1021/acs.jmedchem.6b01593 |
| Homo sapiens | G-protein coupled receptor 120 | Inhibition | nan | % | 10.1021/acs.jmedchem.6b01593 |
| Homo sapiens | G-protein coupled receptor 84 | EC50 | 10000.0 | nM | 10.1021/acs.jmedchem.6b01593 |
| Homo sapiens | G-protein coupled receptor 84 | Emax | 8.0 | % | 10.1021/acs.jmedchem.6b01593 |
| Homo sapiens | G-protein coupled receptor 84 | Emax | 43.0 | % | 10.1021/acs.jmedchem.6b01593 |
| Homo sapiens | G-protein coupled receptor 84 | Inhibition | nan | % | 10.1021/acs.jmedchem.6b01593 |