129138-56-3
AlkaPlorer ID: AK039486
Synonym: None
IUPAC Name: 2-(3,5-dibromo-4-butoxy-1-hydroxy-4-methoxycyclohexa-2,5-dien-1-yl)acetamide
Structure
SMILES: CCCCO[C@]1(OC)C(Br)=C[C@@](O)(CC(N)=O)C=C1Br
InChI: InChI=1S/C13H19Br2NO4/c1-3-4-5-20-13(19-2)9(14)6-12(18,7-10(13)15)8-11(16)17/h6-7,18H,3-5,8H2,1-2H3,(H2,16,17)/t12-,13+
InChIKey: IKUMLOOFWYUABH-BETUJISGSA-N
Reference
Allelopathic Effects of Adonis vernalis L.: Root Growth Inhibition and Cytogenetic Alterations
3-epi-periplogenin: ein neues cardenolid aus Adonis vernalis
CAS: 129138-56-3
SuperNatural Ⅲ: SN0148276-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 413.1060000000001
TPSA？: 81.78
MolLogP？: 2.3235
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Salmonella enterica subsp. enterica serovar Typhi str. CT18 | Salmonella enterica subsp. enterica serovar Typhi str. CT18 | Activity | None | None | 10.1021/np50069a001 |
| Shigella sonnei | Shigella sonnei | Activity | None | None | 10.1021/np50069a001 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | None | None | 10.1021/np50069a001 |
| Streptococcus pyogenes | Streptococcus pyogenes | Activity | None | None | 10.1021/np50069a001 |