3,4-Diphenyl-1H-pyrrole-2,5-dione; 4',4''-Dihydroxy, N-[2-(4-hydroxyphenyl)ethyl]
AlkaPlorer ID: AK123069
Synonym: Tetradebromopolycitrin A, Denigrin A
IUPAC Name: 3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione
Structure
SMILES: O=C1C(C2=CC=C(O)C=C2)=C(C2=CC=C(O)C=C2)C(=O)N1CCC1=CC=C(O)C=C1
InChI: InChI=1S/C24H19NO5/c26-18-7-1-15(2-8-18)13-14-25-23(29)21(16-3-9-19(27)10-4-16)22(24(25)30)17-5-11-20(28)12-6-17/h1-12,26-28H,13-14H2
InChIKey: REWIMHIVGDGBBY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Dendrilla | Darwinellidae | Dendroceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 401.4180000000002
TPSA？: 98.07
MolLogP？: 3.325700000000001
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 16.0 | ug.mL-1 | 10.1016/j.ejmech.2017.06.005 |