Nigellicine
AlkaPlorer ID: AK026546
Synonym: None
IUPAC Name: 3-methyl-1-oxo-6,7,8,9-tetrahydropyridazino[1,2-a]indazole-11-carboxylic acid
Structure
SMILES: CC1=CC(=O)C2=C(C(=O)O)N3CCCCN3C2=C1
InChI: InChI=1S/C13H14N2O3/c1-8-6-9-11(10(16)7-8)12(13(17)18)15-5-3-2-4-14(9)15/h6-7H,2-5H2,1H3,(H,17,18)
InChIKey: FEJTUHSIRAJLOJ-UHFFFAOYSA-N
Reference
Nigellidine — A new indazole alkaloid from the seeds of Nigella sativa
PubChem CID: 11402337
LOTUS: LTS0160814
SuperNatural Ⅲ: SN0083435
NPASS: NPC165290
COCONUT: CNP0318868
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nigella sativa | Nigella | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 246.266
TPSA？: 64.23
MolLogP？: 1.5550199999999998
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|