None
AlkaPlorer ID: AK324692
Synonym: None
IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,4-bis(3,4-dimethoxyphenyl)butan-2-amine
Structure
SMILES: COC1=CC=C(CCC(CC2=CC=C(OC)C(OC)=C2)NCCC2=CC=C3OCOC3=C2)C=C1OC
InChI: InChI=1S/C29H35NO6/c1-31-24-10-6-20(16-27(24)33-3)5-9-23(15-22-8-11-25(32-2)28(18-22)34-4)30-14-13-21-7-12-26-29(17-21)36-19-35-26/h6-8,10-12,16-18,23,30H,5,9,13-15,19H2,1-4H3
InChIKey: PKMRIAOXVIBRBZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ficus schwarzii | Ficus | Moraceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 493.6000000000003
TPSA？: 67.41000000000001
MolLogP？: 4.825900000000004
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Aorta | Activity | nan | None | 10.1021/acs.jnatprod.9b01160 |
| Rattus norvegicus | Aorta | EC50 | 1880.0 | nM | 10.1021/acs.jnatprod.9b01160 |
| Rattus norvegicus | Aorta | Emax | 120.4 | % | 10.1021/acs.jnatprod.9b01160 |