Torrubiellone C
AlkaPlorer ID: AK344212
Synonym: None
IUPAC Name: 4-hydroxy-3-[(2E,4E,6E)-8-(hydroxymethyl)deca-2,4,6-trienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one
Structure
SMILES: CCC(/C=C/C=C/C=C/C(=O)C1=C(O)N=CC(C2=CC=C(O)C=C2)=C1O)CO
InChI: InChI=1S/C22H23NO5/c1-2-15(14-24)7-5-3-4-6-8-19(26)20-21(27)18(13-23-22(20)28)16-9-11-17(25)12-10-16/h3-13,15,24-25H,2,14H2,1H3,(H2,23,27,28)/b4-3+,7-5+,8-6+
InChIKey: BKSPTJGGAGGDSV-OKWWDJPNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 381.42800000000005
TPSA？: 110.88
MolLogP？: 3.735200000000002
Number of H-Donors: 4
Number of H-Acceptors: 6
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 | 20.0 | % | 10.1016/j.bmc.2017.02.031 |
| Homo sapiens | Cannabinoid CB2 receptor | Inhibition | 20.0 | % | 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 |