Penicimumide
AlkaPlorer ID: AK116786
Synonym: None
IUPAC Name: (E,4R,6R)-4,6-dimethyldodec-2-enamide
Structure
SMILES: CCCCCC[C@@H](C)C[C@@H](C)/C=C/C(=N)O
InChI: InChI=1S/C14H27NO/c1-4-5-6-7-8-12(2)11-13(3)9-10-14(15)16/h9-10,12-13H,4-8,11H2,1-3H3,(H2,15,16)/b10-9+/t12-,13+/m1/s1
InChIKey: ASWIDATXPVRDFO-GBYBRZQVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 225.37600000000003
TPSA？: 44.08
MolLogP？: 4.710570000000003
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 59350.0 | nM | 10.1016/j.ejmech.2018.09.015 |
| Homo sapiens | BXPC-3 | IC50 | 67730.0 | nM | 10.1016/j.ejmech.2018.09.015 |
| Homo sapiens | HCT-116 | IC50 | 100000.0 | nM | 10.1016/j.ejmech.2018.09.015 |
| Homo sapiens | HeLa | IC50 | 78330.0 | nM | 10.1016/j.ejmech.2018.09.015 |
| Homo sapiens | HepG2 | IC50 | 78260.0 | nM | 10.1016/j.ejmech.2018.09.015 |
| Homo sapiens | HL-60 | IC50 | 51530.0 | nM | 10.1016/j.ejmech.2018.09.015 |
| Homo sapiens | HT-29 | IC50 | 85430.0 | nM | 10.1016/j.ejmech.2018.09.015 |
| Homo sapiens | K562 | IC50 | 62490.0 | nM | 10.1016/j.ejmech.2018.09.015 |
| Homo sapiens | LS180 | IC50 | 64480.0 | nM | 10.1016/j.ejmech.2018.09.015 |
| Homo sapiens | MCF7 | IC50 | 60640.0 | nM | 10.1016/j.ejmech.2018.09.015 |
| Homo sapiens | NCI-H1975 | IC50 | 53930.0 | nM | 10.1016/j.ejmech.2018.09.015 |
| Homo sapiens | PANC-1 | IC50 | 82610.0 | nM | 10.1016/j.ejmech.2018.09.015 |
| Homo sapiens | PC-3 | IC50 | 100000.0 | nM | 10.1016/j.ejmech.2018.09.015 |
| Homo sapiens | SW480 | IC50 | 54970.0 | nM | 10.1016/j.ejmech.2018.09.015 |
| Mus musculus | L929 | IC50 | 13500.0 | nM | 10.1016/j.ejmech.2018.09.015 |