None
AlkaPlorer ID: AK324691
Synonym: None
IUPAC Name: 1,4-bis(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbutan-2-amine
Structure
SMILES: COC1=CC=C(CCC(CC2=CC=C(OC)C(OC)=C2)N(C)CCC2=CC=C(OC)C(OC)=C2)C=C1OC
InChI: InChI=1S/C31H41NO6/c1-32(17-16-23-10-14-27(34-3)30(20-23)37-6)25(18-24-11-15-28(35-4)31(21-24)38-7)12-8-22-9-13-26(33-2)29(19-22)36-5/h9-11,13-15,19-21,25H,8,12,16-18H2,1-7H3
InChIKey: CSPQUCNKCHGDKG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ficus schwarzii | Ficus | Moraceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 523.6700000000003
TPSA？: 58.620000000000005
MolLogP？: 5.456600000000006
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.9b01160 |
| Homo sapiens | HCT-116 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.9b01160 |
| Homo sapiens | MCF7 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.9b01160 |
| Rattus norvegicus | Aorta | Activity | nan | None | 10.1021/acs.jnatprod.9b01160 |
| Rattus norvegicus | Aorta | EC50 | 960.0 | nM | 10.1021/acs.jnatprod.9b01160 |
| Rattus norvegicus | Aorta | Emax | 106.0 | % | 10.1021/acs.jnatprod.9b01160 |