Clathridine A
AlkaPlorer ID: AK034093
Synonym: None
IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
Structure
SMILES: CN1C(=O)C(=NC2=NC(CC3=CC=C4OCOC4=C3)=CN2C)N=C1O
InChI: InChI=1S/C16H15N5O4/c1-20-7-10(5-9-3-4-11-12(6-9)25-8-24-11)17-15(20)18-13-14(22)21(2)16(23)19-13/h3-4,6-7H,5,8H2,1-2H3,(H,17,18,19,23)
InChIKey: DNQGARKMDHLOGM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clathrina clathrus | Clathrina | Clathrinidae | Clathrinida | Calcarea | Porifera | Metazoa | Eukaryota |
| Notodoris gardineri | Notodoris | Polyceridae | Nudibranchia | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 341.32700000000006
TPSA？: 101.54000000000002
MolLogP？: 1.1555999999999995
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | IZ | 18.0 | mm | 10.1021/np100175x |
| Escherichia coli | Escherichia coli | IZ | 0.0 | mm | 10.1021/np100175x |
| Homo sapiens | MCF7 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2017.01.024 |
| Staphylococcus aureus | Staphylococcus aureus | IZ | 0.0 | mm | 10.1021/np100175x |