D-Mannitol 1-phosphate
| Internal ID | de923e41-cd1b-46d5-bef8-bce43bbe7e51 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Monosaccharide phosphates |
| IUPAC Name | [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] dihydrogen phosphate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1 |
| InChI Key | GACTWZZMVMUKNG-KVTDHHQDSA-N |
| Popularity | 210 references in papers |
| Molecular Formula | C6H15O9P |
| Molecular Weight | 262.15 g/mol |
| Exact Mass | 262.04536905 g/mol |
| Topological Polar Surface Area (TPSA) | 168.00 Ų |
| XlogP | -4.70 |
| Atomic LogP (AlogP) | -3.47 |
| H-Bond Acceptor | 7 |
| H-Bond Donor | 7 |
| Rotatable Bonds | 7 |
| 15806-48-1 |
| D-Mannitol 1-phosphate |
| mannitol-1-phosphate |
| D-mannitol-1-phosphate |
| [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]phosphonic acid |
| mannitol-1-P |
| [(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] dihydrogen phosphate |
| D-Mannitol, 1-(dihydrogen phosphate) |
| 1-O-phosphono-D-mannitol |
| 44H |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | - | 0.9497 | 94.97% |
| Caco-2 | - | 0.9548 | 95.48% |
| Blood Brain Barrier | - | 0.5000 | 50.00% |
| Human oral bioavailability | - | 0.7857 | 78.57% |
| Subcellular localzation | Mitochondria | 0.7300 | 73.00% |
| OATP2B1 inhibitior | - | 0.8538 | 85.38% |
| OATP1B1 inhibitior | + | 0.9678 | 96.78% |
| OATP1B3 inhibitior | + | 0.9435 | 94.35% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 0.9250 | 92.50% |
| BSEP inhibitior | - | 0.9348 | 93.48% |
| P-glycoprotein inhibitior | - | 0.9484 | 94.84% |
| P-glycoprotein substrate | - | 0.9622 | 96.22% |
| CYP3A4 substrate | - | 0.6228 | 62.28% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.8093 | 80.93% |
| CYP3A4 inhibition | - | 0.9491 | 94.91% |
| CYP2C9 inhibition | - | 0.8992 | 89.92% |
| CYP2C19 inhibition | - | 0.8747 | 87.47% |
| CYP2D6 inhibition | - | 0.9168 | 91.68% |
| CYP1A2 inhibition | - | 0.8969 | 89.69% |
| CYP2C8 inhibition | - | 0.9882 | 98.82% |
| CYP inhibitory promiscuity | - | 0.9654 | 96.54% |
| UGT catelyzed | + | 1.0000 | 100.00% |
| Carcinogenicity (binary) | - | 0.7708 | 77.08% |
| Carcinogenicity (trinary) | Non-required | 0.5868 | 58.68% |
| Eye corrosion | - | 0.6823 | 68.23% |
| Eye irritation | - | 0.9944 | 99.44% |
| Skin irritation | - | 0.7424 | 74.24% |
| Skin corrosion | - | 0.7016 | 70.16% |
| Ames mutagenesis | - | 0.8900 | 89.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.6107 | 61.07% |
| Micronuclear | - | 0.5500 | 55.00% |
| Hepatotoxicity | - | 0.9125 | 91.25% |
| skin sensitisation | - | 0.8515 | 85.15% |
| Respiratory toxicity | + | 0.6333 | 63.33% |
| Reproductive toxicity | - | 0.8444 | 84.44% |
| Mitochondrial toxicity | + | 0.7375 | 73.75% |
| Nephrotoxicity | + | 0.6717 | 67.17% |
| Acute Oral Toxicity (c) | III | 0.5812 | 58.12% |
| Estrogen receptor binding | - | 0.6170 | 61.70% |
| Androgen receptor binding | - | 0.6547 | 65.47% |
| Thyroid receptor binding | - | 0.5999 | 59.99% |
| Glucocorticoid receptor binding | - | 0.6459 | 64.59% |
| Aromatase binding | - | 0.6499 | 64.99% |
| PPAR gamma | - | 0.6590 | 65.90% |
| Honey bee toxicity | - | 0.5882 | 58.82% |
| Biodegradation | - | 0.5000 | 50.00% |
| Crustacea aquatic toxicity | - | 0.8100 | 81.00% |
| Fish aquatic toxicity | - | 0.9114 | 91.14% |
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 | 97.67% | 97.29% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 93.30% | 94.01% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.55% | 96.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.35% | 91.71% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.08% | 83.82% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.40% | 100.00% |
| CHEMBL4333 | P21453 | Sphingosine 1-phosphate receptor Edg-1 | 80.13% | 96.99% |
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 | 130418 |
| LOTUS | LTS0051960 |
| wikiData | Q27101838 |