D-oliose
| Internal ID | 24bed84e-2888-4615-b245-9c5b4fc58ca0 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Hexoses |
| IUPAC Name | (2S,4R,5R,6R)-6-methyloxane-2,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5+,6+/m1/s1 |
| InChI Key | FDWRIIDFYSUTDP-ZXXMMSQZSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C6H12O4 |
| Molecular Weight | 148.16 g/mol |
| Exact Mass | 148.07355886 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | -1.10 |
| Atomic LogP (AlogP) | -1.16 |
| H-Bond Acceptor | 4 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 0 |
| SCHEMBL9682367 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | - | 0.7067 | 70.67% |
| Caco-2 | - | 0.8357 | 83.57% |
| Blood Brain Barrier | + | 0.5250 | 52.50% |
| Human oral bioavailability | - | 0.5714 | 57.14% |
| Subcellular localzation | Mitochondria | 0.5971 | 59.71% |
| OATP2B1 inhibitior | - | 0.8546 | 85.46% |
| OATP1B1 inhibitior | + | 0.9358 | 93.58% |
| OATP1B3 inhibitior | + | 0.9606 | 96.06% |
| MATE1 inhibitior | - | 0.9800 | 98.00% |
| OCT2 inhibitior | - | 0.9750 | 97.50% |
| BSEP inhibitior | - | 0.9663 | 96.63% |
| P-glycoprotein inhibitior | - | 0.9745 | 97.45% |
| P-glycoprotein substrate | - | 0.9411 | 94.11% |
| CYP3A4 substrate | - | 0.6260 | 62.60% |
| CYP2C9 substrate | - | 0.8099 | 80.99% |
| CYP2D6 substrate | - | 0.8215 | 82.15% |
| CYP3A4 inhibition | - | 0.9742 | 97.42% |
| CYP2C9 inhibition | - | 0.9826 | 98.26% |
| CYP2C19 inhibition | - | 0.9794 | 97.94% |
| CYP2D6 inhibition | - | 0.9757 | 97.57% |
| CYP1A2 inhibition | - | 0.9778 | 97.78% |
| CYP2C8 inhibition | - | 0.9931 | 99.31% |
| CYP inhibitory promiscuity | - | 0.9882 | 98.82% |
| UGT catelyzed | + | 1.0000 | 100.00% |
| Carcinogenicity (binary) | - | 0.9600 | 96.00% |
| Carcinogenicity (trinary) | Non-required | 0.6513 | 65.13% |
| Eye corrosion | - | 0.9574 | 95.74% |
| Eye irritation | - | 0.8302 | 83.02% |
| Skin irritation | - | 0.6109 | 61.09% |
| Skin corrosion | - | 0.8159 | 81.59% |
| Ames mutagenesis | - | 0.5500 | 55.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.6616 | 66.16% |
| Micronuclear | + | 0.5400 | 54.00% |
| Hepatotoxicity | + | 0.5448 | 54.48% |
| skin sensitisation | - | 0.8590 | 85.90% |
| Respiratory toxicity | - | 0.6556 | 65.56% |
| Reproductive toxicity | - | 0.6111 | 61.11% |
| Mitochondrial toxicity | - | 0.7250 | 72.50% |
| Nephrotoxicity | - | 0.6339 | 63.39% |
| Acute Oral Toxicity (c) | III | 0.6069 | 60.69% |
| Estrogen receptor binding | - | 0.8041 | 80.41% |
| Androgen receptor binding | - | 0.9052 | 90.52% |
| Thyroid receptor binding | - | 0.6512 | 65.12% |
| Glucocorticoid receptor binding | - | 0.8215 | 82.15% |
| Aromatase binding | - | 0.8557 | 85.57% |
| PPAR gamma | - | 0.8467 | 84.67% |
| Honey bee toxicity | - | 0.9020 | 90.20% |
| Biodegradation | - | 0.6000 | 60.00% |
| Crustacea aquatic toxicity | - | 0.6100 | 61.00% |
| Fish aquatic toxicity | - | 0.8948 | 89.48% |
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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.56% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.19% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.19% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.54% | 95.93% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 57115074 |
| LOTUS | LTS0130802 |
| wikiData | Q104993832 |