Militarinone B
AlkaPlorer ID: AK045880
Synonym: None
IUPAC Name: 4-hydroxy-5-(4-hydroxyphenyl)-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyldodeca-2,4,6-trienoyl]-1H-pyridin-2-one
Structure
SMILES: CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(=O)C1=C(O)N=CC(C2=CC=C(O)C=C2)=C1O
InChI: InChI=1S/C26H31NO4/c1-5-17(2)14-19(4)15-18(3)8-6-7-9-23(29)24-25(30)22(16-27-26(24)31)20-10-12-21(28)13-11-20/h6-13,15-17,19,28H,5,14H2,1-4H3,(H2,27,30,31)/b8-6+,9-7+,18-15+/t17-,19-/m1/s1
InChIKey: GBZJQQUISHXMFL-YNFQZBBQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cordyceps farinosa | Cordyceps | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 421.5370000000001
TPSA？: 90.65
MolLogP？: 6.179100000000007
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | IC50 | 43400.0 | nM | 10.1021/np100568w |
| Homo sapiens | A549 | IC50 | 120000.0 | nM | 10.1021/np100568w |
| Rattus norvegicus | PC-12 | Activity | 30.7 | % | 10.1021/np020430y |
| Rattus norvegicus | PC-12 | Activity | 74.0 | % | 10.1021/np020430y |
| Rattus norvegicus | PC-12 | Activity | nan | None | 10.1021/np020430y |
| Staphylococcus aureus | Staphylococcus aureus | IC50 | 2110.0 | nM | 10.1021/np100568w |
| Streptococcus pneumoniae | Streptococcus pneumoniae | IC50 | 2600.0 | nM | 10.1021/np100568w |