Indirubin; 6,6'-Dibromo
AlkaPlorer ID: AK302446
Synonym: 6,6'-Dibromoindirubin
IUPAC Name: 6-bromo-2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one
Structure
SMILES: O=C1NC2=CC(Br)=CC=C2/C1=C1/NC2=CC(Br)=CC=C2C1=O
InChI: InChI=1S/C16H8Br2N2O2/c17-7-1-3-9-11(5-7)20-16(22)13(9)14-15(21)10-4-2-8(18)6-12(10)19-14/h1-6,19H,(H,20,22)/b14-13-
InChIKey: JCKVHZFGTVQBJM-YPKPFQOOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hexaplex trunculus | Hexaplex | Muricidae | Neogastropoda | Gastropoda | Mollusca | Metazoa | Eukaryota |
| Nucella lapillus | Nucella | Muricidae | Neogastropoda | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 420.06000000000006
TPSA？: 58.2
MolLogP？: 4.183200000000001
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2017.07.009 |