Neoselaginellic acid
AlkaPlorer ID: AK057094
Synonym: 'neoselaginellic acid', '(-)-Neoselaginellic acid'
IUPAC Name: (E)-4-[(3S)-3-[2-(dimethylamino)phenyl]-1-methyl-2-oxopyrrolidin-3-yl]-2-methylbut-2-enoic acid
Structure
SMILES: C/C(=C\C[C@@]1(C2=CC=CC=C2N(C)C)CCN(C)C1=O)C(=O)O
InChI: InChI=1S/C18H24N2O3/c1-13(16(21)22)9-10-18(11-12-20(4)17(18)23)14-7-5-6-8-15(14)19(2)3/h5-9H,10-12H2,1-4H3,(H,21,22)/b13-9+/t18-/m0/s1
InChIKey: HVGGIBSRIUYNNK-FUNAXGEOSA-N
Reference
Pyrrolidinoindoline Alkaloids from <i>Selaginella moellendorfii</i>
PubChem CID: 44179585
LOTUS: LTS0266262
SuperNatural Ⅲ: SN0136431-02
NPASS: NPC240272
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Selaginella moellendorffii | Selaginella | Selaginellaceae | Selaginellales | Lycopodiopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 316.401
TPSA？: 60.85000000000001
MolLogP？: 2.2735
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Activity | None | None | 10.1021/np9001515 |
| Homo sapiens | A549 | Activity | None | None | 10.1021/np9001515 |
| Homo sapiens | Acetylcholinesterase | Activity | None | None | 10.1021/np9001515 |
| Homo sapiens | K562 | Activity | None | None | 10.1021/np9001515 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | None | None | 10.1021/np9001515 |