nigellidine
AlkaPlorer ID: AK026572
Synonym: None
IUPAC Name: 11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-1-one
Structure
SMILES: CC1=CC([O-])=C2C(C3=CC=C(O)C=C3)=[N+]3CCCCN3C2=C1
InChI: InChI=1S/C18H18N2O2/c1-12-10-15-17(16(22)11-12)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)
InChIKey: BYNDPWUDABJNCH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nigella sativa | Nigella | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 294.354
TPSA？: 52.1
MolLogP？: 2.47722
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | Activity | 8.0 | % | 10.1021/np500398m |
| Homo sapiens | HepG2 | Activity | nan | None | 10.1021/np500398m |