Communesin A
AlkaPlorer ID: AK030781
Synonym: None
IUPAC Name: 1-[(2S,6R,14R,22R,25S)-25-[(2R)-3,3-dimethyloxiran-2-yl]-15-methyl-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]13)[C@@H]6[C@H]1OC1(C)C
InChI: InChI=1S/C28H32N4O2/c1-16(33)31-14-12-27-18-9-5-6-10-19(18)29-24-28(27)13-15-32(25(27)31)22(23-26(2,3)34-23)17-8-7-11-20(21(17)28)30(24)4/h5-11,22-25,29H,12-15H2,1-4H3/t22-,23+,24+,25+,27-,28-/m0/s1
InChIKey: QKUUVGNHUMKUAN-SFCIDSGNSA-N
Reference
New Insecticidal Compounds, Communesins C, D and E, from<i>Penicillium expansum</i>Link MK-57
PubChem CID: 56930994
LOTUS: LTS0156306
SuperNatural Ⅲ: SN0308204-07
NPASS: NPC256288
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium expansum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 456.5900000000003
TPSA？: 51.35000000000001
MolLogP？: 3.579900000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bombyx mori | Bombyx mori | LD50 | 150.0 | mg.kg-1 | 10.1271/bbb.68.753 |