N-[(5R)-5beta-(3,4,5-Trimethoxyphenyl)-6-oxo-5,5aalpha,6,8,8abeta,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d]-1,3-dioxole-9alpha-yl]-3-fluorobenzamide
AlkaPlorer ID: AK388660
Synonym: None
IUPAC Name: N-[(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-fluorobenzamide
Structure
SMILES: COC1=CC([C@@H]2C3=CC4=C(C=C3[C@@H](NC(=O)C3=CC=CC(F)=C3)[C@H]3COC(=O)[C@H]23)OCO4)=CC(OC)=C1OC
InChI: InChI=1S/C29H26FNO8/c1-34-22-8-15(9-23(35-2)27(22)36-3)24-17-10-20-21(39-13-38-20)11-18(17)26(19-12-37-29(33)25(19)24)31-28(32)14-5-4-6-16(30)7-14/h4-11,19,24-26H,12-13H2,1-3H3,(H,31,32)/t19-,24+,25-,26+/m0/s1
InChIKey: GJLWNZAYNOFPHT-QNMIOERPSA-N
Reference
PubChem CID: 11944633
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 535.5240000000003
TPSA？: 101.55
MolLogP？: 3.9860000000000015
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Pieris rapae | Pieris rapae | Activity | nan | None | 10.1248/cpb.50.399 |
| Pieris rapae | Pieris rapae | mortality | 18.57 | % | 10.1248/cpb.50.399 |
| Pieris rapae | Pieris rapae | mortality | 49.46 | % | 10.1248/cpb.50.399 |
| Pieris rapae | Pieris rapae | mortality | 86.7 | % | 10.1248/cpb.50.399 |