gliocladine E
AlkaPlorer ID: AK057870
Synonym: None
IUPAC Name: (1S,2S,3R,11R,14R)-2-hydroxy-3-(1H-indol-3-yl)-14,20-dimethyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-triene-13,19-dione
Structure
SMILES: CN1C(=O)[C@]23SSSS[C@]1(C)C(=O)N2[C@H]1NC2=CC=CC=C2[C@@]1(C1=CNC2=CC=CC=C12)[C@@H]3O
InChI: InChI=1S/C23H20N4O3S4/c1-21-19(29)27-18-22(13-8-4-6-10-16(13)25-18,14-11-24-15-9-5-3-7-12(14)15)17(28)23(27,20(30)26(21)2)32-34-33-31-21/h3-11,17-18,24-25,28H,1-2H3/t17-,18+,21+,22+,23-/m0/s1
InChIKey: LRILHDGEPRUUDR-HMKLVTIHSA-N
Reference
Nematicidal Epipolysulfanyldioxopiperazines from <i>Gliocladium </i><i>r</i><i>oseum</i>
PubChem CID: 11591811
LOTUS: LTS0107204
NPASS: NPC477177
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 528.7060000000002
TPSA？: 88.67
MolLogP？: 3.9846000000000026
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bursaphelenchus xylophilus | Bursaphelenchus xylophilus | ED50 | 400.0 | ug ml-1 | 10.1021/np0502241 |
| Caenorhabditis elegans | Caenorhabditis elegans | ED50 | 200.0 | ug ml-1 | 10.1021/np0502241 |
| Panagrellus redivivus | Panagrellus redivivus | ED50 | 250.0 | ug ml-1 | 10.1021/np0502241 |