5-Methoxytryptamine; Nb-Me
AlkaPlorer ID: AK037385
Synonym: 5-Methoxy-N-methyltryptamine
IUPAC Name: 2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine
Structure
SMILES: CNCCC1=CNC2=C1C=C(OC)C=C2
InChI: InChI=1S/C12H16N2O/c1-13-6-5-9-8-14-12-4-3-10(15-2)7-11(9)12/h3-4,7-8,13-14H,5-6H2,1-2H3
InChIKey: NFDDCRIHMZGWBP-UHFFFAOYSA-N
Reference
Alkaloids of the flowers of Arundo donax
PubChem CID: 16184
CAS: 2009-03-2
LOTUS: LTS0017997
NPASS: NPC76748
COCONUT: CNP0134668
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Desmodium | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Arundo donax | Arundo | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Diospyros kaki | Diospyros | Ebenaceae | Ericales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Phalaris arundinacea | Phalaris | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 204.273
TPSA？: 37.05
MolLogP？: 1.9384
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | IC50 | 12500.0 | nM | 10.1021/np401003p |
| Homo sapiens | Serotonin 2a (5-HT2a) receptor | Ki | 4.1 | nM | 10.1021/jm00039a004 |
| Homo sapiens | Serotonin 2a (5-HT2a) receptor | Ki | 450.0 | nM | 10.1021/jm00039a004 |
| Homo sapiens | Serotonin 2c (5-HT2c) receptor | Ratio | 205.0 | None | 10.1021/jm00039a004 |
| Rattus norvegicus | Serotonin 2c (5-HT2c) receptor | Ki | 840.0 | nM | 10.1021/jm00039a004 |
| None | Unchecked | Ratio | 110.0 | None | 10.1021/jm00039a004 |