Communesin E
AlkaPlorer ID: AK003975
Synonym: None
IUPAC Name: 1-[(2S,6R,14R,22R,25R)-15-methyl-25-(2-methylprop-1-enyl)-1,3,13,15-tetrazaheptacyclo[18.4.1.02,6.06,22.07,12.014,22.016,21]pentacosa-7,9,11,16,18,20-hexaen-3-yl]ethanone
Structure
SMILES: CC(=O)N1CC[C@@]23C4=CC=CC=C4N[C@@H]4N(C)C5=CC=CC6=C5[C@@]42CCN([C@@H]6C=C(C)C)[C@@H]13
InChI: InChI=1S/C28H32N4O/c1-17(2)16-23-19-8-7-11-22-24(19)28-13-15-32(23)26-27(28,12-14-31(26)18(3)33)20-9-5-6-10-21(20)29-25(28)30(22)4/h5-11,16,23,25-26,29H,12-15H2,1-4H3/t23-,25-,26-,27+,28+/m1/s1
InChIKey: AJKLOOXVDIANRY-MGDFUXISSA-N
Reference
New Insecticidal Compounds, Communesins C, D and E, from<i>Penicillium expansum</i>Link MK-57
PubChem CID: 24741372
LOTUS: LTS0227854
SuperNatural Ⅲ: SN0007197-02
NPASS: NPC109787
{NPAtlas: NPA006796
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium expansum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 440.5910000000003
TPSA？: 38.82000000000001
MolLogP？: 4.368700000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bombyx mori | Bombyx mori | LD50 | 80.0 | mg.kg-1 | 10.1271/bbb.68.753 |