None
AlkaPlorer ID: AK323232
Synonym: None
IUPAC Name: 3-[(2R)-2-[(E)-4-(8-methoxy-2-oxochromen-7-yl)oxy-2-methylbut-2-enyl]-5-oxo-2H-furan-4-yl]propanamide
Structure
SMILES: COC1=C2OC(=O)C=CC2=CC=C1OC/C=C(\C)C[C@@H]1C=C(CCC(=N)O)C(=O)O1
InChI: InChI=1S/C22H23NO7/c1-13(11-16-12-15(22(26)29-16)4-7-18(23)24)9-10-28-17-6-3-14-5-8-19(25)30-20(14)21(17)27-2/h3,5-6,8-9,12,16H,4,7,10-11H2,1-2H3,(H2,23,24)/b13-9+/t16-/m1/s1
InChIKey: JJTHROCBOPPGSD-LRFDDAOPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clausena anisum-olens | Clausena | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 413.4260000000002
TPSA？: 119.05000000000004
MolLogP？: 3.684070000000002
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Monoamine oxidase A | Inhibition | nan | % | 10.1021/acs.jnatprod.6b00391 |
| Homo sapiens | Monoamine oxidase B | IC50 | 143.65 | nM | 10.1021/acs.jnatprod.6b00391 |
| None | Unchecked | Ratio IC50 | 696.0 | None | 10.1021/acs.jnatprod.6b00391 |