Aminozooanemonin
AlkaPlorer ID: AK079082
Synonym: 2,3-Dihydro-2-imino-1,3-dimethyl-1H-imidazole-4-acetic acid
IUPAC Name: 2-(2-amino-1,3-dimethylimidazol-1-ium-4-yl)acetate
Structure
SMILES: CN1C=C(CC(=O)[O-])[N+](C)=C1N
InChI: InChI=1S/C7H11N3O2/c1-9-4-5(3-6(11)12)10(2)7(9)8/h4,8H,3H2,1-2H3,(H,11,12)
InChIKey: UZHLDXPPXNMSFH-UHFFFAOYSA-N
Reference
Novel Betaines from the Marine Sponge <i>Agelas dispar</i>
PubChem CID: 101410707
CAS: 213749-79-2
LOTUS: LTS0129738
SuperNatural Ⅲ: SN0384154-01
NPASS: NPC193559
COCONUT: CNP0294996
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas dispar | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 169.184
TPSA？: 74.96000000000001
MolLogP？: -2.2757999999999985
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 2.5 | ug.mL-1 | 10.1021/np980157t |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 8.5 | ug.mL-1 | 10.1021/np980157t |