2-O-beta-d-galactofuranosyl-d-ribitol
| Internal ID | d98883a8-b76f-4ae9-92ec-00d725e1ad04 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | (2R,3R,4S)-4-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxypentane-1,2,3,5-tetrol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H22O10/c12-1-4(15)7(17)6(3-14)20-11-9(19)8(18)10(21-11)5(16)2-13/h4-19H,1-3H2/t4-,5-,6+,7-,8-,9-,10+,11-/m1/s1 |
| InChI Key | YUSNDFRUEQZBJG-OWAQRNGZSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C11H22O10 |
| Molecular Weight | 314.29 g/mol |
| Exact Mass | 314.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 180.00 Ų |
| XlogP | -4.60 |
| Atomic LogP (AlogP) | -5.12 |
| H-Bond Acceptor | 10 |
| H-Bond Donor | 8 |
| Rotatable Bonds | 8 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | - | 0.8079 | 80.79% |
| Caco-2 | - | 0.9312 | 93.12% |
| Blood Brain Barrier | + | 0.7500 | 75.00% |
| Human oral bioavailability | - | 0.6857 | 68.57% |
| Subcellular localzation | Mitochondria | 0.6282 | 62.82% |
| OATP2B1 inhibitior | - | 0.8568 | 85.68% |
| OATP1B1 inhibitior | + | 0.9489 | 94.89% |
| OATP1B3 inhibitior | + | 0.9521 | 95.21% |
| MATE1 inhibitior | - | 0.9800 | 98.00% |
| OCT2 inhibitior | - | 0.9500 | 95.00% |
| BSEP inhibitior | - | 0.9790 | 97.90% |
| P-glycoprotein inhibitior | - | 0.9164 | 91.64% |
| P-glycoprotein substrate | - | 0.9120 | 91.20% |
| CYP3A4 substrate | - | 0.5277 | 52.77% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.8378 | 83.78% |
| CYP3A4 inhibition | - | 0.9804 | 98.04% |
| CYP2C9 inhibition | - | 0.9447 | 94.47% |
| CYP2C19 inhibition | - | 0.9135 | 91.35% |
| CYP2D6 inhibition | - | 0.9462 | 94.62% |
| CYP1A2 inhibition | - | 0.8963 | 89.63% |
| CYP2C8 inhibition | - | 0.9163 | 91.63% |
| CYP inhibitory promiscuity | - | 0.9489 | 94.89% |
| UGT catelyzed | - | 0.5000 | 50.00% |
| Carcinogenicity (binary) | - | 0.9800 | 98.00% |
| Carcinogenicity (trinary) | Non-required | 0.6915 | 69.15% |
| Eye corrosion | - | 0.9911 | 99.11% |
| Eye irritation | - | 0.9598 | 95.98% |
| Skin irritation | - | 0.8315 | 83.15% |
| Skin corrosion | - | 0.9476 | 94.76% |
| Ames mutagenesis | - | 0.7700 | 77.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.4481 | 44.81% |
| Micronuclear | - | 0.9326 | 93.26% |
| Hepatotoxicity | - | 0.7197 | 71.97% |
| skin sensitisation | - | 0.9408 | 94.08% |
| Respiratory toxicity | + | 0.5778 | 57.78% |
| Reproductive toxicity | - | 0.6667 | 66.67% |
| Mitochondrial toxicity | - | 0.8500 | 85.00% |
| Nephrotoxicity | + | 0.5061 | 50.61% |
| Acute Oral Toxicity (c) | IV | 0.6638 | 66.38% |
| Estrogen receptor binding | - | 0.7853 | 78.53% |
| Androgen receptor binding | - | 0.7526 | 75.26% |
| Thyroid receptor binding | + | 0.6336 | 63.36% |
| Glucocorticoid receptor binding | - | 0.7984 | 79.84% |
| Aromatase binding | + | 0.5973 | 59.73% |
| PPAR gamma | - | 0.5198 | 51.98% |
| Honey bee toxicity | - | 0.8092 | 80.92% |
| Biodegradation | - | 0.5500 | 55.00% |
| Crustacea aquatic toxicity | - | 0.8534 | 85.34% |
| Fish aquatic toxicity | - | 0.8671 | 86.71% |
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 | 92.31% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.62% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.14% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.74% | 96.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.94% | 97.25% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 83.93% | 98.05% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.04% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.67% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.89% | 95.89% |
| CHEMBL3589 | P55263 | Adenosine kinase | 80.71% | 98.05% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.58% | 86.92% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 162956162 |
| LOTUS | LTS0148258 |
| wikiData | Q105364517 |