Dthd
AlkaPlorer ID: AK321811
Synonym: None
IUPAC Name: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Structure
SMILES: CC1=CN(C2CC(O)C(CO)O2)C(=O)N=C1O
InChI: InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)
InChIKey: IQFYYKKMVGJFEH-UHFFFAOYSA-N
Reference
A New Lignan Glycoside from<i>Eleutherococcus senticosus</i>
PubChem CID: 1134
CAS: 50-89-5
LOTUS: LTS0253531
COCONUT: CNP0244671.5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Allium tuberosum | Allium | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Fritillaria anhuiensis | Fritillaria | Liliaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Anethum graveolens | Anethum | Apiaceae | Apiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 242.231
TPSA？: 104.81
MolLogP？: -1.10198
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Equus caballus | Ferritin light chain | Potency | 35481.3 | nM | None |
| Homo sapiens | 786-0 | GI50 | 1164126.03 | nM | None |
| Homo sapiens | A498 | GI50 | 4666593.8 | nM | None |
| Homo sapiens | A549 | GI50 | 688652.3 | nM | None |
| Homo sapiens | ACHN | GI50 | 1836538.34 | nM | None |
| Homo sapiens | BT-549 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 1419057.52 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 54701.6 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 3090295.43 | nM | None |
| Homo sapiens | DLD-1 | GI50 | 2697739.43 | nM | None |
| Homo sapiens | DMS-114 | GI50 | 727779.8 | nM | None |
| Homo sapiens | DMS-273 | GI50 | 3784425.85 | nM | None |
| Homo sapiens | DU-145 | GI50 | 4446312.67 | nM | None |
| Homo sapiens | EKVX | GI50 | 2382319.47 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 3681289.74 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 1931968.32 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 3365115.69 | nM | None |
| Homo sapiens | HL-60 | GI50 | 4764309.87 | nM | None |
| Homo sapiens | HOP-18 | GI50 | 4613175.75 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 1383566.38 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 3019951.72 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 3899419.87 | nM | None |
| Homo sapiens | HT-29 | GI50 | 4425883.72 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 4897788.19 | nM | None |
| Homo sapiens | K562 | GI50 | 1541700.45 | nM | None |
| Homo sapiens | KM12 | GI50 | 4931738.04 | nM | None |
| Homo sapiens | KM-20L2 | GI50 | 3357376.14 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 1312199.9 | nM | None |
| Homo sapiens | M14 | GI50 | 1853531.62 | nM | None |
| Homo sapiens | M19-MEL | GI50 | 1069054.88 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 2409905.43 | nM | None |
| Homo sapiens | MCF7 | GI50 | 325087.3 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 3515604.41 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 4943106.87 | nM | None |
| Homo sapiens | MDA-N | GI50 | 3784425.85 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 386366.98 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 2264644.31 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 3775721.91 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 1020939.48 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 1832314.42 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 654636.17 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 1686553.03 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 1489361.08 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 3890451.45 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 4055085.35 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 1592208.73 | nM | None |
| Homo sapiens | PC-3 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 2051162.18 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 2506109.25 | nM | None |
| Homo sapiens | SF-268 | GI50 | 2280342.07 | nM | None |
| Homo sapiens | SF-295 | GI50 | 2285598.8 | nM | None |
| Homo sapiens | SF-539 | GI50 | 3672823.0 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 3881503.66 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 1355189.41 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 4446312.67 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 2483133.11 | nM | None |
| Homo sapiens | SN12C | GI50 | 1224616.2 | nM | None |
| Homo sapiens | SN12K1 | GI50 | 857037.85 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 1733804.0 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 3630780.55 | nM | None |
| Homo sapiens | SNB-78 | GI50 | 3176874.07 | nM | None |
| Homo sapiens | SR | GI50 | 2023019.18 | nM | None |
| Homo sapiens | SW-620 | GI50 | 2128139.05 | nM | None |
| Homo sapiens | T47D | GI50 | 4083193.86 | nM | None |
| Homo sapiens | Thyroid hormone receptor beta-1 | Potency | 0.7 | nM | None |
| Homo sapiens | TK-10 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | U-251 | GI50 | 1534616.98 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 3758374.04 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 843334.76 | nM | None |
| Homo sapiens | UO-31 | GI50 | 3672823.0 | nM | None |
| Homo sapiens | XF498 | GI50 | 263026.8 | nM | None |
| Mus musculus | P388 | GI50 | 57411.65 | nM | None |
| Mus musculus | P388/ADR | GI50 | 91833.26 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 1.5 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 2.4 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 29.8 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 14950.2 | nM | None |