Isonaamine A; 3''-Methoxy, 4',4''-di-Me ether
AlkaPlorer ID: AK045365
Synonym: Isonaamine C
IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-amine
Structure
SMILES: COC1=CC=C(CN2C=C(CC3=CC=C(OC)C(OC)=C3)N=C2N)C=C1
InChI: InChI=1S/C20H23N3O3/c1-24-17-7-4-14(5-8-17)12-23-13-16(22-20(23)21)10-15-6-9-18(25-2)19(11-15)26-3/h4-9,11,13H,10,12H2,1-3H3,(H2,21,22)
InChIKey: NAVLFLWMOIRLJG-UHFFFAOYSA-N
Reference
New and Biologically Active Imidazole Alkaloids from Two Sponges of the Genus <i>Leucetta</i>
PubChem CID: 5324778
LOTUS: LTS0229529
SuperNatural Ⅲ: SN0240496
NPASS: NPC13397
COCONUT: CNP0276421
Source
Properties Information
Molecule Weight: 353.4220000000001
TPSA？: 71.53
MolLogP？: 3.130200000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
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 | 2.2 | ug.mL-1 | 10.1021/np020050c |
| Homo sapiens | Huh-7 | GI50 | 2.1 | ug.mL-1 | 10.1021/np020050c |
| Homo sapiens | MCF7 | IC50 | 28000.0 | 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 | 5.3 | ug.mL-1 | 10.1021/np020050c |