Usenamine E
AlkaPlorer ID: AK104094
Synonym: None
IUPAC Name: ethyl 4-[[(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxodibenzofuran-2-ylidene]ethyl]amino]butanoate
Structure
SMILES: CCOC(=O)CCCN/C(C)=C1\C(=O)C=C2OC3=C(C(C)=O)C(O)=C(C)C(O)=C3[C@@]2(C)C1=O
InChI: InChI=1S/C24H27NO8/c1-6-32-16(28)8-7-9-25-12(3)17-14(27)10-15-24(5,23(17)31)19-21(30)11(2)20(29)18(13(4)26)22(19)33-15/h10,25,29-30H,6-9H2,1-5H3/b17-12+/t24-/m0/s1
InChIKey: MKICBVRSWZVTPN-JYFCICGUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Usnea | Parmeliaceae | Lecanorales | Lecanoromycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 457.4790000000002
TPSA？: 139.23
MolLogP？: 2.50152
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | MIC50 | 200000.0 | nM | 10.1021/acs.jnatprod.6b00109 |