None
AlkaPlorer ID: AK324690
Synonym: None
IUPAC Name: 1,4-bis(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butan-2-amine
Structure
SMILES: COC1=CC=C(CCNC(CCC2=CC=C(OC)C(OC)=C2)CC2=CC=C(OC)C(OC)=C2)C=C1OC
InChI: InChI=1S/C30H39NO6/c1-32-25-12-8-21(18-28(25)35-4)7-11-24(17-23-10-14-27(34-3)30(20-23)37-6)31-16-15-22-9-13-26(33-2)29(19-22)36-5/h8-10,12-14,18-20,24,31H,7,11,15-17H2,1-6H3
InChIKey: DVTXGCNDTXJJFM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ficus schwarzii | Ficus | Moraceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 509.6430000000004
TPSA？: 67.41000000000001
MolLogP？: 5.114400000000005
Number of H-Donors: 1
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 | 2010.0 | nM | 10.1021/acs.jnatprod.9b01160 |
| Rattus norvegicus | Aorta | Emax | 119.3 | % | 10.1021/acs.jnatprod.9b01160 |