parazoanthine A
AlkaPlorer ID: AK095919
Synonym: None
IUPAC Name: 2-[3-[(4S)-1-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,5-dioxoimidazolidin-4-yl]propyl]guanidine
Structure
SMILES: N=C(N)NCCC[C@@H]1N=C(O)N(/C=C/C2=CC=C(O)C=C2)C1=O
InChI: InChI=1S/C15H19N5O3/c16-14(17)18-8-1-2-12-13(22)20(15(23)19-12)9-7-10-3-5-11(21)6-4-10/h3-7,9,12,21H,1-2,8H2,(H,19,23)(H4,16,17,18)/b9-7+/t12-/m0/s1
InChIKey: WXHLWIZGEJEWKS-CRALRDPISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Parazoanthus axinellae | Parazoanthus | Parazoanthidae | Zoantharia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 317.3490000000001
TPSA？: 135.03
MolLogP？: 0.7509700000000001
Number of H-Donors: 5
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | Activity | None | None | 10.1021/np900437y |
| Homo sapiens | HT-29 | Activity | None | None | 10.1021/np900437y |
| Homo sapiens | MDA-MB-231 | Activity | None | None | 10.1021/np900437y |
| Plasmodium falciparum | Plasmodium falciparum | Activity | None | None | 10.1021/np900437y |