Monascopyridine A
AlkaPlorer ID: AK046881
Synonym: 'Monascopyridine A'
IUPAC Name: (3R,3aS,9aS)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-3a,4-dihydro-3H-furo[3,2-g]isoquinoline-2,9-dione
Structure
SMILES: C/C=C/C1=NC=C2C(=O)[C@@]3(C)OC(=O)[C@@H](C(=O)CCCCC)[C@@H]3CC2=C1
InChI: InChI=1S/C21H25NO4/c1-4-6-7-9-17(23)18-16-11-13-10-14(8-5-2)22-12-15(13)19(24)21(16,3)26-20(18)25/h5,8,10,12,16,18H,4,6-7,9,11H2,1-3H3/b8-5+/t16-,18+,21-/m0/s1
InChIKey: XZLAVLLIHLWTLQ-SFHCNVCLSA-N
Reference
New <i>Monascus</i> Metabolites with a Pyridine Structure in Red Fermented Rice
PubChem CID: 101751764
LOTUS: LTS0135840
SuperNatural Ⅲ: SN0444195-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monascus purpureus | Monascus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 355.4340000000002
TPSA？: 73.33
MolLogP？: 3.5508000000000024
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|