Nigeglanine
AlkaPlorer ID: AK118516
Synonym: None
IUPAC Name: 3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-1-ol
Structure
SMILES: CC1=CC2=C(C=[N+]3CCCCN23)C(O)=C1
InChI: InChI=1S/C12H14N2O/c1-9-6-11-10(12(15)7-9)8-13-4-2-3-5-14(11)13/h6-8H,2-5H2,1H3/p+1
InChIKey: FAGBILYNJCYFKA-UHFFFAOYSA-O
Reference
A New Alkaloid and Its Artificial Derivative with an Indazole Ring from Nigella glandulifera
PubChem CID: 101341126
CAS: 701203-91-0
LOTUS: LTS0135648
SuperNatural Ⅲ: SN0080294
NPASS: NPC472194
COCONUT: CNP0276406
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nigella sativa | Nigella | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 203.265
TPSA？: 29.04
MolLogP？: 1.7366199999999998
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
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 |