D-Xylulose 5-phosphate
| Internal ID | a6095d71-e07a-4fc2-9e40-333a44fc55ca |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Pentoses > Pentose phosphates |
| IUPAC Name | [(2R,3S)-2,3,5-trihydroxy-4-oxopentyl] dihydrogen phosphate |
| SMILES (Canonical) | C(C(C(C(=O)CO)O)O)OP(=O)(O)O |
| SMILES (Isomeric) | C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O |
| InChI | InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1 |
| InChI Key | FNZLKVNUWIIPSJ-RFZPGFLSSA-N |
| Popularity | 1,433 references in papers |
| Molecular Formula | C5H11O8P |
| Molecular Weight | 230.11 g/mol |
| Exact Mass | 230.01915430 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | -3.70 |
| Atomic LogP (AlogP) | -2.62 |
| H-Bond Acceptor | 6 |
| H-Bond Donor | 5 |
| Rotatable Bonds | 6 |
| 4212-65-1 |
| D-xylulose-5-phosphate |
| xylulose-5-phosphate |
| Xylulose 5-phosphate |
| 5-O-phosphono-D-xylulose |
| (2R,3S)-2,3,5-Trihydroxy-4-oxopentyl dihydrogen phosphate |
| Xylulose 5-phosphate, D- |
| Keto-D-xylulose 5-phosphate |
| D-Threo-pentulose, 5-phosphate |
| [(2R,3S)-2,3,5-trihydroxy-4-oxopentyl] dihydrogen phosphate |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | - | 0.9396 | 93.96% |
| Caco-2 | - | 0.9709 | 97.09% |
| Blood Brain Barrier | - | 0.5500 | 55.00% |
| Human oral bioavailability | - | 0.6286 | 62.86% |
| Subcellular localzation | Mitochondria | 0.8127 | 81.27% |
| OATP2B1 inhibitior | - | 0.8534 | 85.34% |
| OATP1B1 inhibitior | + | 0.9616 | 96.16% |
| OATP1B3 inhibitior | + | 0.9426 | 94.26% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 0.9000 | 90.00% |
| BSEP inhibitior | - | 0.9501 | 95.01% |
| P-glycoprotein inhibitior | - | 0.9670 | 96.70% |
| P-glycoprotein substrate | - | 0.9448 | 94.48% |
| CYP3A4 substrate | - | 0.5933 | 59.33% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.8116 | 81.16% |
| CYP3A4 inhibition | - | 0.9248 | 92.48% |
| CYP2C9 inhibition | - | 0.8901 | 89.01% |
| CYP2C19 inhibition | - | 0.8641 | 86.41% |
| CYP2D6 inhibition | - | 0.9127 | 91.27% |
| CYP1A2 inhibition | - | 0.8954 | 89.54% |
| CYP2C8 inhibition | - | 0.9818 | 98.18% |
| CYP inhibitory promiscuity | - | 0.9832 | 98.32% |
| UGT catelyzed | + | 0.7000 | 70.00% |
| Carcinogenicity (binary) | - | 0.7608 | 76.08% |
| Carcinogenicity (trinary) | Non-required | 0.6379 | 63.79% |
| Eye corrosion | - | 0.6774 | 67.74% |
| Eye irritation | - | 0.8987 | 89.87% |
| Skin irritation | - | 0.7904 | 79.04% |
| Skin corrosion | - | 0.8103 | 81.03% |
| Ames mutagenesis | - | 0.6400 | 64.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7498 | 74.98% |
| Micronuclear | - | 0.5100 | 51.00% |
| Hepatotoxicity | - | 0.6038 | 60.38% |
| skin sensitisation | - | 0.8577 | 85.77% |
| Respiratory toxicity | + | 0.5111 | 51.11% |
| Reproductive toxicity | - | 0.7667 | 76.67% |
| Mitochondrial toxicity | + | 0.7125 | 71.25% |
| Nephrotoxicity | + | 0.5435 | 54.35% |
| Acute Oral Toxicity (c) | III | 0.5494 | 54.94% |
| Estrogen receptor binding | - | 0.5505 | 55.05% |
| Androgen receptor binding | - | 0.6124 | 61.24% |
| Thyroid receptor binding | + | 0.5430 | 54.30% |
| Glucocorticoid receptor binding | + | 0.5665 | 56.65% |
| Aromatase binding | - | 0.7483 | 74.83% |
| PPAR gamma | - | 0.5555 | 55.55% |
| Honey bee toxicity | - | 0.5160 | 51.60% |
| Biodegradation | + | 0.5500 | 55.00% |
| Crustacea aquatic toxicity | - | 0.7900 | 79.00% |
| Fish aquatic toxicity | - | 0.7035 | 70.35% |
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.61% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.59% | 96.09% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 87.96% | 94.01% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.82% | 91.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.39% | 99.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.30% | 98.75% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.14% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
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| There are no matching plants. |
| PubChem | 439190 |
| LOTUS | LTS0019907 |
| wikiData | Q27094888 |