3-[(Dimethylamino)methyl]-5-hydroxyindole; Me ether
AlkaPlorer ID: AK041906
Synonym: 3-(Dimethylaminomethyl)-5-methoxyindole, 5-Methoxygramine
IUPAC Name: 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine
Structure
SMILES: COC1=CC=C2NC=C(CN(C)C)C2=C1
InChI: InChI=1S/C12H16N2O/c1-14(2)8-9-7-13-12-5-4-10(15-3)6-11(9)12/h4-7,13H,8H2,1-3H3
InChIKey: GOERTRUXQHDLHC-UHFFFAOYSA-N
Reference
Methoxylated gramine derivatives from Phalaris aquatica
PubChem CID: 27965
CAS: 16620-52-3
LOTUS: LTS0138927
COCONUT: CNP0199557
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phalaris aquatica | Phalaris | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 204.273
TPSA？: 28.26
MolLogP？: 2.2381
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Trace amine-associated receptor 1 | Activity | None | None | 10.1039/C5MD00400D |