None
AlkaPlorer ID: AK324628
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-[2-(4-fluorophenyl)ethylamino]acetate
Structure
SMILES: C=CC(C)(C)C1=CC2=CC3=C(C=C2OC1=O)O[C@@H](C(C)(C)OC(=O)CNCCC1=CC=C(F)C=C1)C3
InChI: InChI=1S/C29H32FNO5/c1-6-28(2,3)22-14-19-13-20-15-25(34-23(20)16-24(19)35-27(22)33)29(4,5)36-26(32)17-31-12-11-18-7-9-21(30)10-8-18/h6-10,13-14,16,25,31H,1,11-12,15,17H2,2-5H3/t25-/m1/s1
InChIKey: SHJDRPHGNZCWPX-RUZDIDTESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ruta graveolens | Ruta | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 493.5750000000003
TPSA？: 77.77000000000001
MolLogP？: 4.853300000000004
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | P3HR-1 | CC50 | 42600.0 | nM | 10.1021/acs.jnatprod.6b00415 |
| Human gammaherpesvirus 4 | Human gammaherpesvirus 4 | IC50 | 760.0 | nM | 10.1021/acs.jnatprod.6b00415 |
| None | Unchecked | Ratio CC50/IC50 | 56.0 | None | 10.1021/acs.jnatprod.6b00415 |