[(2R)-2-methyl-2-[(4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-3H-imidazo[2,1-b]oxazol-6-yl]azinic acid
AlkaPlorer ID: AK000218
Synonym: None
IUPAC Name: (2R)-2-methyl-6-nitro-2-[(4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-3H-imidazo[2,1-b][1,3]oxazole
Structure
SMILES: C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)S(=O)(=O)N4CCCC4
InChI: InChI=1S/C17H20N4O6S/c1-17(11-19-10-15(21(22)23)18-16(19)27-17)12-26-13-4-6-14(7-5-13)28(24,25)20-8-2-3-9-20/h4-7,10H,2-3,8-9,11-12H2,1H3/t17-/m1/s1
InChIKey: LVWXLDIUXWCXAE-QGZVFWFLSA-N
Reference
Pyrrolidinoindoline Alkaloids from <i>Selaginella moellendorfii</i>
PubChem CID: 117993846
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sophora flavescens | Sophora | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Selaginella moellendorffii | Selaginella | Selaginellaceae | Selaginellales | Lycopodiopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 408.4360000000002
TPSA？: 116.8
MolLogP？: 1.8058999999999998
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC90 | 1.0 | ug.mL-1 | 10.1021/acsmedchemlett.5b00202 |