Clathridine A; 9-Imine
AlkaPlorer ID: AK069490
Synonym: Clathridimine
IUPAC Name: 2-amino-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazol-4-one
Structure
SMILES: CN1C(=N)N=C(NC2=NC(CC3=CC=C4OCOC4=C3)=CN2C)C1=O
InChI: InChI=1S/C16H16N6O3/c1-21-7-10(5-9-3-4-11-12(6-9)25-8-24-11)18-16(21)20-13-14(23)22(2)15(17)19-13/h3-4,6-7H,5,8H2,1-2H3,(H2,17,18,19,20)
InChIKey: GQZYLXOSDIRFRS-UHFFFAOYSA-N
Reference
PubChem CID: 75238775
LOTUS: LTS0111133
SuperNatural Ⅲ: SN0113062
NPASS: NPC17305
COCONUT: CNP0216748
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clathrina clathrus | Clathrina | Clathrinidae | Clathrinida | Calcarea | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 340.3430000000001
TPSA？: 104.83
MolLogP？: 0.9567699999999996
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | IZ | 24.0 | mm | 10.1021/np100175x |
| Escherichia coli | Escherichia coli | IZ | 15.0 | mm | 10.1021/np100175x |
| Staphylococcus aureus | Staphylococcus aureus | IZ | 0.0 | mm | 10.1021/np100175x |