brachystemidine C
AlkaPlorer ID: AK042206
Synonym: '(2R)-2-(3-hydroxy-5-methoxy-2-oxopyrrolidin-1-yl)-2,5-dihydrofuran-3-ylmethyl 1H-pyrrole-2-carboxylate', '(-)-Brachystemidine C', 'Brachystemidine C'
IUPAC Name: [(2S)-2-[(3S,5S)-3-hydroxy-5-methoxy-2-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate
Structure
SMILES: CO[C@H]1C[C@H](O)C(=O)N1[C@H]1OCC=C1COC(=O)C1=CC=CN1
InChI: InChI=1S/C15H18N2O6/c1-21-12-7-11(18)13(19)17(12)14-9(4-6-22-14)8-23-15(20)10-3-2-5-16-10/h2-5,11-12,14,16,18H,6-8H2,1H3/t11-,12-,14-/m0/s1
InChIKey: XXNXFWDNPYKFDJ-OBJOEFQTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Brachystemma calycinum | Brachystemma | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 322.317
TPSA？: 101.09
MolLogP？: 0.0198999999999996
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|