Nigellidine; 1-O-Sulfate
AlkaPlorer ID: AK026603
Synonym: None
IUPAC Name: [3-methyl-11-(4-oxocyclohexa-2,5-dien-1-ylidene)-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-1-yl] hydrogen sulfate
Structure
SMILES: CC1=CC(OS(=O)(=O)O)=C2C(=C3C=CC(=O)C=C3)N3CCCCN3C2=C1
InChI: InChI=1S/C18H18N2O5S/c1-12-10-15-17(16(11-12)25-26(22,23)24)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,22,23,24)
InChIKey: PIIGHYPMPPFOCX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nigella sativa | Nigella | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 374.4180000000002
TPSA？: 87.15
MolLogP？: 2.4136200000000008
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|