Ningalin C; 3',3'',3''',5-Tetradeoxy
AlkaPlorer ID: AK123085
Synonym: Denigrin C
IUPAC Name: 7-hydroxy-1,4-bis(4-hydroxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]benzo[e]indole-2,5-dione
Structure
SMILES: O=C1C(C2=CC=C(O)C=C2)=C2C(=C(C3=CC=C(O)C=C3)C(=O)N2CCC2=CC=C(O)C=C2)C2=CC=C(O)C=C12
InChI: InChI=1S/C32H23NO6/c34-21-7-1-18(2-8-21)15-16-33-30-28(20-5-11-23(36)12-6-20)31(38)26-17-24(37)13-14-25(26)29(30)27(32(33)39)19-3-9-22(35)10-4-19/h1-14,17,34-37H,15-16H2
InChIKey: GKEKXUQOGPELQA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Dendrilla | Darwinellidae | Dendroceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 517.5370000000003
TPSA？: 118.3
MolLogP？: 5.112300000000006
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 4.0 | ug.mL-1 | 10.1016/j.ejmech.2017.06.005 |