Nigelladine A; (S)-form
AlkaPlorer ID: AK307732
Synonym: None
IUPAC Name: 2,2,4,8a-tetramethyl-6-propan-2-yl-8,9-dihydroindeno[2,1-b]pyridin-7-one
Structure
SMILES: CC1=CC(C)(C)N=C2CC3(C)CC(=O)C(C(C)C)=CC3=C12
InChI: InChI=1S/C19H25NO/c1-11(2)13-7-14-17-12(3)8-18(4,5)20-15(17)9-19(14,6)10-16(13)21/h7-8,11H,9-10H2,1-6H3
InChIKey: ZLLJDNGQDGFFLK-UHFFFAOYSA-N
Reference
Benzyl-β-resorcylates from Cassia obtusifolia
PubChem CID: 162818804
COCONUT: CNP0077517.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nigella glandulifera | Nigella | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 283.415
TPSA？: 29.43
MolLogP？: 4.427700000000004
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|