None
AlkaPlorer ID: AK324627
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-(cyclopentylamino)acetate
Structure
SMILES: C=CC(C)(C)C1=CC2=CC3=C(C=C2OC1=O)O[C@@H](C(C)(C)OC(=O)CNC1CCCC1)C3
InChI: InChI=1S/C26H33NO5/c1-6-25(2,3)19-12-16-11-17-13-22(30-20(17)14-21(16)31-24(19)29)26(4,5)32-23(28)15-27-18-9-7-8-10-18/h6,11-12,14,18,22,27H,1,7-10,13,15H2,2-5H3/t22-/m1/s1
InChIKey: RNQYDXNNQJXUGE-JOCHJYFZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ruta graveolens | Ruta | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 439.5520000000003
TPSA？: 77.77000000000001
MolLogP？: 4.414100000000003
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 | 40800.0 | nM | 10.1021/acs.jnatprod.6b00415 |
| Human gammaherpesvirus 4 | Human gammaherpesvirus 4 | IC50 | 2000.0 | nM | 10.1021/acs.jnatprod.6b00415 |
| None | Unchecked | Ratio CC50/IC50 | 20.0 | None | 10.1021/acs.jnatprod.6b00415 |