N,N-Dimethyltryptamine; Nb-Oxide
AlkaPlorer ID: AK296678
Synonym: N,N-Dimethyltryptamine N-oxide
IUPAC Name: 2-(1H-indol-3-yl)-N,N-dimethylethanamine oxide
Structure
SMILES: C[N+](C)([O-])CCC1=CNC2=CC=CC=C12
InChI: InChI=1S/C12H16N2O/c1-14(2,15)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKey: FSRSWKRQDYWUFG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Desmodium | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 204.273
TPSA？: 38.85
MolLogP？: 2.2846
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepatitis B virus | Hepatitis B virus | IC50 | 17600.0 | nM | 10.1016/j.bmc.2011.04.004 |
| None | ADMET | CC50 | 100000.0 | nM | 10.1016/j.bmc.2011.04.004 |
| None | Unchecked | Ratio CC50/IC50 | 5.7 | None | 10.1016/j.bmc.2011.04.004 |