methyl 4‐[(E)‐2‐acetyl‐4‐oxoundec‐1‐enyl]‐6‐propylnicotinate
AlkaPlorer ID: AK050338
Synonym: None
IUPAC Name: methyl 4-(2-acetyl-4-oxoundec-1-enyl)-6-propylpyridine-3-carboxylate
Structure
SMILES: CCCCCCCC(=O)CC(=CC1=CC(CCC)=NC=C1C(=O)OC)C(C)=O
InChI: InChI=1S/C23H33NO4/c1-5-7-8-9-10-12-21(26)15-18(17(3)25)13-19-14-20(11-6-2)24-16-22(19)23(27)28-4/h13-14,16H,5-12,15H2,1-4H3
InChIKey: IWAPLOITRVNZAP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monascus purpureus | Monascus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 387.52000000000015
TPSA？: 73.33000000000001
MolLogP？: 5.1128000000000045
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|