Monascustin
AlkaPlorer ID: AK106498
Synonym: None
IUPAC Name: (2R,3S)-3-hydroxy-3-methyl-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
Structure
SMILES: CC(C)C[C@@]1(C(=N)O)N=C(O)C[C@]1(C)O
InChI: InChI=1S/C10H18N2O3/c1-6(2)4-10(8(11)14)9(3,15)5-7(13)12-10/h6,15H,4-5H2,1-3H3,(H2,11,14)(H,12,13)/t9-,10-/m0/s1
InChIKey: SNBONYSNCLHAOU-UWVGGRQHSA-N
Reference
Monascustin, an Unusual γ-Lactam from Red Yeast Rice
PubChem CID: 132850192
LOTUS: LTS0146286
NPASS: NPC487237
{NPAtlas: NPA022163
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 214.265
TPSA？: 96.9
MolLogP？: 1.41777
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | Activity | nan | None | 10.1021/acs.jnatprod.6b00493 |
| Homo sapiens | A549 | Activity | nan | None | 10.1021/acs.jnatprod.6b00493 |
| Homo sapiens | Bel-7402 | Activity | nan | None | 10.1021/acs.jnatprod.6b00493 |
| Homo sapiens | BGC-823 | Activity | nan | None | 10.1021/acs.jnatprod.6b00493 |
| Homo sapiens | HCT-8 | Activity | nan | None | 10.1021/acs.jnatprod.6b00493 |
| Homo sapiens | Histone deacetylase 1 | IC50 | 3700.0 | nM | 10.1021/acs.jnatprod.6b00493 |
| Mus musculus | Peritoneal macrophage | Inhibition | nan | % | 10.1021/acs.jnatprod.6b00493 |