Lissodendrin B
AlkaPlorer ID: AK135832
Synonym: None
IUPAC Name: 1-[2-amino-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]-2-(4-hydroxyphenyl)ethane-1,2-dione
Structure
SMILES: NC1=NC(C(=O)C(=O)C2=CC=C(O)C=C2)=C(C2=CC=C(O)C=C2)N1
InChI: InChI=1S/C17H13N3O4/c18-17-19-13(9-1-5-11(21)6-2-9)14(20-17)16(24)15(23)10-3-7-12(22)8-4-10/h1-8,21-22H,(H3,18,19,20)
InChIKey: CUCJYSKKVMGZSN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lissodendoryx fibrosa | Lissodendoryx | Coelosphaeridae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 323.308
TPSA？: 129.3
MolLogP？: 2.1356999999999995
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Poly [ADP-ribose] polymerase-1 | Inhibition | 28.0 | % | 10.1016/j.bmc.2022.116892 |