Isonaamidine A; 10-Methoxy, di-Me ether
AlkaPlorer ID: AK048633
Synonym: Isonaamidine E
IUPAC Name: 5-[4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
Structure
SMILES: COC1=CC=C(CN2C=C(CC3=CC=C(OC)C(OC)=C3)N=C2N=C2N=C(O)N(C)C2=O)C=C1
InChI: InChI=1S/C24H25N5O5/c1-28-22(30)21(27-24(28)31)26-23-25-17(11-16-7-10-19(33-3)20(12-16)34-4)14-29(23)13-15-5-8-18(32-2)9-6-15/h5-10,12,14H,11,13H2,1-4H3,(H,25,26,27,31)
InChIKey: IAZXKPUWJIHMFV-UHFFFAOYSA-N
Reference
New and Biologically Active Imidazole Alkaloids from Two Sponges of the Genus <i>Leucetta</i>
PubChem CID: 136190330
LOTUS: LTS0160962
NPASS: NPC308906
COCONUT: CNP0252761
Source
Properties Information
Molecule Weight: 463.4940000000002
TPSA？: 110.77
MolLogP？: 2.9640000000000013
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus pseudoglaucus | Aspergillus pseudoglaucus | Activity | nan | None | 10.1021/np020050c |
| [Chlorella] fusca | [Chlorella] fusca | Activity | nan | None | 10.1021/np020050c |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np020050c |
| Homo sapiens | HepG2 | GI50 | 7.0 | ug.mL-1 | 10.1021/np020050c |
| Homo sapiens | Huh-7 | GI50 | 1.3 | ug.mL-1 | 10.1021/np020050c |
| Homo sapiens | MCF7 | IC50 | 5780.0 | nM | 10.1016/j.bmc.2017.01.024 |
| Microbotryum violaceum | Microbotryum violaceum | Activity | nan | None | 10.1021/np020050c |
| Mycotypha microspora | Mycotypha microspora | Activity | nan | None | 10.1021/np020050c |
| Priestia megaterium | Priestia megaterium | Activity | nan | None | 10.1021/np020050c |
| None | NON-PROTEIN TARGET | GI50 | 7.0 | ug.mL-1 | 10.1021/np020050c |