None
AlkaPlorer ID: AK324632
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-(butylamino)acetate
Structure
SMILES: C=CC(C)(C)C1=CC2=C(C=C3O[C@@H](C(C)(C)OC(=O)CNCCCC)CC3=C2)OC1=O
InChI: InChI=1S/C25H33NO5/c1-7-9-10-26-15-22(27)31-25(5,6)21-13-17-11-16-12-18(24(3,4)8-2)23(28)30-20(16)14-19(17)29-21/h8,11-12,14,21,26H,2,7,9-10,13,15H2,1,3-6H3/t21-/m1/s1
InChIKey: KOLNGAUJYAYCBL-OAQYLSRUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ruta graveolens | Ruta | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 427.5410000000003
TPSA？: 77.77000000000001
MolLogP？: 4.271600000000003
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 |