Norbelladine; Tri-Me ether, N-Me
AlkaPlorer ID: AK024281
Synonym: N-[(3,4-Dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzeneethanamine, (3,4-Dimethoxybenzyl)(4-methoxyphenethyl)methylamine, Belladine
IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methylethanamine
Structure
SMILES: COC1=CC=C(CCN(C)CC2=CC=C(OC)C(OC)=C2)C=C1
InChI: InChI=1S/C19H25NO3/c1-20(12-11-15-5-8-17(21-2)9-6-15)14-16-7-10-18(22-3)19(13-16)23-4/h5-10,13H,11-12,14H2,1-4H3
InChIKey: LTXRLUQBZWBCGH-UHFFFAOYSA-N
Reference
Genome-scale metabolic modeling of responses to polymyxins in <i>Pseudomonas aeruginosa</i>
PubChem CID: 441586
CAS: 501-06-4
LOTUS: LTS0109568
SuperNatural Ⅲ: SN0215327
NPASS: NPC172403
COCONUT: CNP0331845
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chlidanthus fragrans | Chlidanthus | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Nerine bowdenii | Nerine | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 315.413
TPSA？: 30.930000000000003
MolLogP？: 3.3869000000000025
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Spinacia oleracea | Spinacia oleracea | Fresh weight | 22.3 | ng g-1 | 10.1016/j.bmcl.2004.04.035 |
| Spinacia oleracea | Spinacia oleracea | Fresh weight | 123.5 | ng g-1 | 10.1016/j.bmcl.2004.04.035 |
| Spinacia oleracea | Spinacia oleracea | Fresh weight | 174.4 | ng g-1 | 10.1016/j.bmcl.2004.04.035 |
| None | Unchecked | IC50 | 87000.0 | nM | 10.1016/j.bmcl.2004.04.035 |