Pederin; 4'-Ketone
AlkaPlorer ID: AK309512
Synonym: Pederone
IUPAC Name: N-[[6-(2,3-dimethoxypropyl)-5,5-dimethyl-4-oxooxan-2-yl]-methoxymethyl]-2-hydroxy-2-(2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl)acetamide
Structure
SMILES: C=C1CC(OC)(C(O)C(=O)NC(OC)C2CC(=O)C(C)(C)C(CC(COC)OC)O2)OC(C)C1C
InChI: InChI=1S/C25H43NO9/c1-14-12-25(33-9,35-16(3)15(14)2)21(28)22(29)26-23(32-8)18-11-19(27)24(4,5)20(34-18)10-17(31-7)13-30-6/h15-18,20-21,23,28H,1,10-13H2,2-9H3,(H,26,29)
InChIKey: XWFDVJNZERXRSB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Paederus fuscipes | Paederus | Staphylinidae | Coleoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 501.6170000000003
TPSA？: 121.78000000000004
MolLogP？: 1.5841000000000016
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|