Usenamine D
AlkaPlorer ID: AK104090
Synonym: None
IUPAC Name: methyl 4-[[(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxodibenzofuran-2-ylidene]ethyl]amino]butanoate
Structure
SMILES: COC(=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/C23H25NO8/c1-10-19(28)17(12(3)25)21-18(20(10)29)23(4)14(32-21)9-13(26)16(22(23)30)11(2)24-8-6-7-15(27)31-5/h9,24,28-29H,6-8H2,1-5H3/b16-11+/t23-/m0/s1
InChIKey: CJVLALQQMVPNHI-LJJIPZOBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Usnea | Parmeliaceae | Lecanorales | Lecanoromycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 443.4520000000003
TPSA？: 139.23
MolLogP？: 2.11142
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 |