Penicillenol A1; 6-Deoxy, 5,6-didehydro(Z-)
AlkaPlorer ID: AK309569
Synonym: Penicillenol B1
IUPAC Name: (5E)-5-ethylidene-4-hydroxy-1-methyl-3-(2-methyloctanoyl)pyrrol-2-one
Structure
SMILES: C/C=C1\C(=O)/C(=C(/O)C(C)CCCCCC)C(=O)N1C
InChI: InChI=1S/C16H25NO3/c1-5-7-8-9-10-11(3)14(18)13-15(19)12(6-2)17(4)16(13)20/h6,11,18H,5,7-10H2,1-4H3/b12-6+,14-13-
InChIKey: APZNPXHLBRZDMY-NYFULTSGSA-N
Reference
CAS: 1039041-78-5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 279.3799999999999
TPSA？: 57.61
MolLogP？: 3.3499000000000017
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2008.02.069 |
| Homo sapiens | Bel-7402 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2008.02.069 |
| Mus musculus | P388 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2008.02.069 |