(-)-cereolactam
AlkaPlorer ID: AK045754
Synonym: None
IUPAC Name: (4S)-7,12-dihydroxy-4,5,5,14-tetramethyl-3-oxa-9-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),7,11,13-pentaen-10-one
Structure
SMILES: CC1=CC(O)=C2C(=O)NC3=C(O)C4=C(O[C@@H](C)C4(C)C)C1=C32
InChI: InChI=1S/C17H17NO4/c1-6-5-8(19)10-11-9(6)15-12(17(3,4)7(2)22-15)14(20)13(11)18-16(10)21/h5,7,19-20H,1-4H3,(H,18,21)/t7-/m0/s1
InChIKey: ZEVXHSMDHQZKIS-ZETCQYMHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Coniothyrium | Coniothyriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 299.3260000000001
TPSA？: 78.79
MolLogP？: 3.183620000000002
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Carica papaya | Papain | IC50 | 50000.0 | nM | 10.1021/np2004227 |
| Electrophorus electricus | Acetylcholinesterase | IC50 | 50000.0 | nM | 10.1021/np2004227 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np2004227 |
| Homo sapiens | Leukocyte elastase | IC50 | 9280.0 | nM | 10.1021/np2004227 |
| Homo sapiens | Thrombin | IC50 | 50000.0 | nM | 10.1021/np2004227 |
| Mus musculus | L929 | Activity | nan | None | 10.1021/np2004227 |
| Mycolicibacterium phlei | Mycolicibacterium phlei | Activity | nan | None | 10.1021/np2004227 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np2004227 |
| None | Unchecked | IC50 | 50000.0 | nM | 10.1021/np2004227 |