Methylgerambullone
AlkaPlorer ID: AK319903
Synonym: None
IUPAC Name: (E)-N-[2-[4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienoxy]phenyl]ethyl]-N-methyl-3-methylsulfonylprop-2-enamide
Structure
SMILES: CC(C)=CC(=O)C/C(C)=C/COC1=CC=C(CCN(C)C(=O)/C=C/S(C)(=O)=O)C=C1
InChI: InChI=1S/C23H31NO5S/c1-18(2)16-21(25)17-19(3)11-14-29-22-8-6-20(7-9-22)10-13-24(4)23(26)12-15-30(5,27)28/h6-9,11-12,15-16H,10,13-14,17H2,1-5H3/b15-12+,19-11+
InChIKey: XBMHYRIXEUNGGG-XKVHLQQPSA-N
Reference
Sulphones derived from methylthiopropenoic acid amides from Glycosmis angustifolia
PubChem CID: 45258604
LOTUS: LTS0173255
SuperNatural Ⅲ: SN0425685-02
NPASS: NPC307682
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Caltha palustris | Caltha | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Xanthostemon chrysanthus | Xanthostemon | Myrtaceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Iris japonica | Iris | Iridaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 433.5700000000001
TPSA？: 80.75
MolLogP？: 3.4963000000000024
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cavia porcellus | Ileum | Activity | nan | None | 10.1016/j.bmcl.2009.11.040 |
| Cavia porcellus | Ileum | Inhibition | 45.31 | % | 10.1016/j.bmcl.2009.11.040 |
| Cavia porcellus | Ileum | Inhibition | 69.95 | % | 10.1016/j.bmcl.2009.11.040 |
| Cavia porcellus | Ileum | Inhibition | 78.66 | % | 10.1016/j.bmcl.2009.11.040 |