Communesin D
AlkaPlorer ID: AK034160
Synonym: None
IUPAC Name: (2S,6R,14R,22R,25S)-25-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(2E,4E)-hexa-2,4-dienoyl]-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-hexaene-15-carbaldehyde
Structure
SMILES: C/C=C/C=C/C(=O)N1CC[C@@]23C4=CC=CC=C4N[C@@H]4N(C=O)C5=CC=CC6=C5[C@@]42CCN([C@@H]13)[C@@H]6[C@H]1OC1(C)C
InChI: InChI=1S/C32H34N4O3/c1-4-5-6-14-24(38)34-17-15-31-21-11-7-8-12-22(21)33-28-32(31)16-18-35(29(31)34)26(27-30(2,3)39-27)20-10-9-13-23(25(20)32)36(28)19-37/h4-14,19,26-29,33H,15-18H2,1-3H3/b5-4+,14-6+/t26-,27+,28+,29+,31-,32-/m0/s1
InChIKey: BKJFWWFPUSKVTE-NSUYYRTMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium expansum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Penicillium sp. | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 522.6490000000003
TPSA？: 68.42
MolLogP？: 4.218900000000004
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia salina | Artemia salina | LC50 | 0.57 | ug.mL-1 | 10.1021/np030271y |
| Bombyx mori | Bombyx mori | LD50 | 80.0 | mg.kg-1 | 10.1271/bbb.68.753 |
| Homo sapiens | L-428 | Activity | nan | None | 10.1021/np030271y |
| Homo sapiens | MOLT-3 | ED50 | 9.9 | ug ml-1 | 10.1021/np030271y |
| Homo sapiens | THP-1 | ED50 | 16.2 | ug ml-1 | 10.1021/np030271y |
| Homo sapiens | U-937 | ED50 | 13.1 | ug ml-1 | 10.1021/np030271y |
| None | NON-PROTEIN TARGET | ED50 | 9.0 | ug ml-1 | 10.1021/np030271y |
| None | NON-PROTEIN TARGET | ED50 | 14.6 | ug ml-1 | 10.1021/np030271y |