Communesin B
AlkaPlorer ID: AK022703
Synonym: None
IUPAC Name: (2E,4E)-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]hexa-2,4-dien-1-one
Structure
SMILES: C/C=C/C=C/C(=O)N1CC[C@@]23C4=C(C=CC=C4)N[C@@H]4N(C)C5=C6C(=CC=C5)[C@@H]([C@H]5OC5(C)C)N(CC[C@]642)[C@@H]13
InChI: InChI=1S/C32H36N4O2/c1-5-6-7-15-24(37)35-18-16-31-21-12-8-9-13-22(21)33-28-32(31)17-19-36(29(31)35)26(27-30(2,3)38-27)20-11-10-14-23(25(20)32)34(28)4/h5-15,26-29,33H,16-19H2,1-4H3/b6-5+,15-7+/t26-,27+,28+,29+,31-,32-/m0/s1
InChIKey: XZFSMUXVAYCHFO-RPCCRITPSA-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: 508.66600000000034
TPSA？: 51.35000000000001
MolLogP？: 4.692300000000005
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 | 0.3 | ug.mL-1 | 10.1021/np030271y |
| Bombyx mori | Bombyx mori | LD50 | 5.0 | mg.kg-1 | 10.1271/bbb.68.753 |
| Homo sapiens | L-428 | ED50 | 20.0 | ug ml-1 | 10.1021/np030271y |
| Homo sapiens | MOLT-3 | ED50 | 8.1 | ug ml-1 | 10.1021/np030271y |
| Homo sapiens | THP-1 | ED50 | 11.4 | ug ml-1 | 10.1021/np030271y |
| Homo sapiens | U-937 | ED50 | 10.4 | ug ml-1 | 10.1021/np030271y |
| None | NON-PROTEIN TARGET | ED50 | 7.2 | ug ml-1 | 10.1021/np030271y |
| None | NON-PROTEIN TARGET | ED50 | 9.9 | ug ml-1 | 10.1021/np030271y |