Pretenellin B
AlkaPlorer ID: AK071742
Synonym: 'Pretenellin B'
IUPAC Name: 3-[(2E,4E,6R)-4,6-dimethylocta-2,4-dienoyl]-4-hydroxy-5-(4-hydroxyphenyl)-1H-pyridin-2-one
Structure
SMILES: CC[C@@H](C)/C=C(C)/C=C/C(=O)C1=C(O)N=CC(C2=CC=C(O)C=C2)=C1O
InChI: InChI=1S/C21H23NO4/c1-4-13(2)11-14(3)5-10-18(24)19-20(25)17(12-22-21(19)26)15-6-8-16(23)9-7-15/h5-13,23H,4H2,1-3H3,(H2,22,25,26)/b10-5+,14-11+/t13-/m1/s1
InChIKey: RUYOCRHCIKMVOH-UCFWAISOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Beauveria bassiana | Beauveria | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 353.418
TPSA？: 90.65
MolLogP？: 4.596700000000006
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Anandamide amidohydrolase | Inhibition | nan | % | 10.1016/j.bmc.2017.02.031 |
| Homo sapiens | Cannabinoid CB1 receptor | Inhibition | 40.0 | % | 10.1016/j.bmc.2017.02.031 |
| Mus musculus | Monoacylglycerol lipase ABHD12 | Inhibition | nan | % | 10.1016/j.bmc.2017.02.031 |
| Mus musculus | Monoacylglycerol lipase ABHD6 | Inhibition | nan | % | 10.1016/j.bmc.2017.02.031 |
| None | Unchecked | Inhibition | nan | % | 10.1016/j.bmc.2017.02.031 |