Nigellidine
AlkaPlorer ID: AK171513
Synonym: ''
IUPAC Name: 11-(4-hydroxyphenyl)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-1-one
Structure
SMILES: CC1=CC(=O)C2=C(C3=CC=C(O)C=C3)N3CCCCN3C2=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/h4-7,10-11,21H,2-3,8-9H2,1H3
InChIKey: HJKNBAAMIKPHJF-UHFFFAOYSA-N
Reference
Nigellidine — A new indazole alkaloid from the seeds of Nigella sativa
PubChem CID: 136828302
CAS: 120993-86-4
LOTUS: LTS0185671
COCONUT: CNP0424553
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？: 47.16
MolLogP？: 3.229420000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|