None
AlkaPlorer ID: AK324629
Synonym: None
IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2R)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl carbonate
Structure
SMILES: C=CC(C)(C)C1=CC2=CC3=C(C=C2OC1=O)O[C@@H](C(C)(C)OC(=O)OCCN1C(=O)C2=CC=CC=C2C1=O)C3
InChI: InChI=1S/C30H29NO8/c1-6-29(2,3)21-14-17-13-18-15-24(37-22(18)16-23(17)38-27(21)34)30(4,5)39-28(35)36-12-11-31-25(32)19-9-7-8-10-20(19)26(31)33/h6-10,13-14,16,24H,1,11-12,15H2,2-5H3/t24-/m1/s1
InChIKey: WJLKKNANEAILGL-XMMPIXPASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ruta graveolens | Ruta | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 531.5610000000003
TPSA？: 112.35
MolLogP？: 4.7881000000000045
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | P3HR-1 | CC50 | 100000.0 | nM | 10.1021/acs.jnatprod.6b00415 |
| Human gammaherpesvirus 4 | Human gammaherpesvirus 4 | IC50 | 830.0 | nM | 10.1021/acs.jnatprod.6b00415 |
| None | Unchecked | Ratio CC50/IC50 | 120.0 | None | 10.1021/acs.jnatprod.6b00415 |