(2E)-N-[2-(4-{[(2E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-en-1-yl]oxy}phenyl)ethyl]-3-methanesulfonylprop-2-enamide
AlkaPlorer ID: AK079576
Synonym: None
IUPAC Name: (E)-N-[2-[4-[(E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]phenyl]ethyl]-3-methylsulfonylprop-2-enamide
Structure
SMILES: C/C(=C\COC1=CC=C(CCN=C(O)/C=C/S(C)(=O)=O)C=C1)CC[C@H](O)C(C)(C)O
InChI: InChI=1S/C22H33NO6S/c1-17(5-10-20(24)22(2,3)26)12-15-29-19-8-6-18(7-9-19)11-14-23-21(25)13-16-30(4,27)28/h6-9,12-13,16,20,24,26H,5,10-11,14-15H2,1-4H3,(H,23,25)/b16-13+,17-12+/t20-/m0/s1
InChIKey: WRXFITZUJCADEK-AYEQULFCSA-N
Reference
Sulphones derived from methylthiopropenoic acid amides from Glycosmis angustifolia
PubChem CID: 163042126
LOTUS: LTS0141460
SuperNatural Ⅲ: SN0418381-02
NPASS: NPC115304
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: 439.5740000000002
TPSA？: 116.42000000000002
MolLogP？: 2.981000000000002
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|