None
AlkaPlorer ID: AK324631
Synonym: None
IUPAC Name: 2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 2-(ethylamino)acetate
Structure
SMILES: C=CC(C)(C)C1=CC2=CC3=C(C=C2OC1=O)O[C@@H](C(C)(C)OC(=O)CNCC)C3
InChI: InChI=1S/C23H29NO5/c1-7-22(3,4)16-10-14-9-15-11-19(23(5,6)29-20(25)13-24-8-2)27-17(15)12-18(14)28-21(16)26/h7,9-10,12,19,24H,1,8,11,13H2,2-6H3/t19-/m1/s1
InChIKey: FXOMWWRTTQFKGZ-LJQANCHMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ruta graveolens | Ruta | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 399.4870000000002
TPSA？: 77.77000000000001
MolLogP？: 3.4914000000000014
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | P3HR-1 | Activity | nan | None | 10.1021/acs.jnatprod.6b00415 |
| Human gammaherpesvirus 4 | Human gammaherpesvirus 4 | Inhibition | nan | % | 10.1021/acs.jnatprod.6b00415 |
| None | Unchecked | Ratio CC50/IC50 | 3.0 | None | 10.1021/acs.jnatprod.6b00415 |