beta-Galactopyranosyl-1,3-arabinose
| Internal ID | 696729fd-44a5-424f-a074-ad4538ee7543 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 2,4,5-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanal |
| SMILES (Canonical) | C(C1C(C(C(C(O1)OC(C(CO)O)C(C=O)O)O)O)O)O |
| SMILES (Isomeric) | C(C1C(C(C(C(O1)OC(C(CO)O)C(C=O)O)O)O)O)O |
| InChI | InChI=1S/C11H20O10/c12-1-4(15)10(5(16)2-13)21-11-9(19)8(18)7(17)6(3-14)20-11/h1,4-11,13-19H,2-3H2 |
| InChI Key | ZTTRCZJSZGZSTB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H20O10 |
| Molecular Weight | 312.27 g/mol |
| Exact Mass | 312.10564683 g/mol |
| Topological Polar Surface Area (TPSA) | 177.00 Ų |
| XlogP | -4.40 |
| Atomic LogP (AlogP) | -4.92 |
| H-Bond Acceptor | 10 |
| H-Bond Donor | 7 |
| Rotatable Bonds | 7 |
| beta-Galactopyranosyl-1,3-arabinose |
| FT-0635959 |
| 0E72B2EF-BE8D-433B-B01F-4FD9D92A0771 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | - | 0.9186 | 91.86% |
| Caco-2 | - | 0.9472 | 94.72% |
| Blood Brain Barrier | + | 0.5750 | 57.50% |
| Human oral bioavailability | - | 0.7714 | 77.14% |
| Subcellular localzation | Mitochondria | 0.7319 | 73.19% |
| OATP2B1 inhibitior | - | 0.8568 | 85.68% |
| OATP1B1 inhibitior | + | 0.9201 | 92.01% |
| OATP1B3 inhibitior | + | 0.9448 | 94.48% |
| MATE1 inhibitior | - | 0.9800 | 98.00% |
| OCT2 inhibitior | - | 0.9500 | 95.00% |
| BSEP inhibitior | - | 0.9727 | 97.27% |
| P-glycoprotein inhibitior | - | 0.9073 | 90.73% |
| P-glycoprotein substrate | - | 0.9600 | 96.00% |
| CYP3A4 substrate | - | 0.5120 | 51.20% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.8558 | 85.58% |
| CYP3A4 inhibition | - | 0.9727 | 97.27% |
| CYP2C9 inhibition | - | 0.9753 | 97.53% |
| CYP2C19 inhibition | - | 0.9666 | 96.66% |
| CYP2D6 inhibition | - | 0.9549 | 95.49% |
| CYP1A2 inhibition | - | 0.9707 | 97.07% |
| CYP2C8 inhibition | - | 0.9319 | 93.19% |
| CYP inhibitory promiscuity | - | 0.9768 | 97.68% |
| UGT catelyzed | + | 0.6000 | 60.00% |
| Carcinogenicity (binary) | - | 0.9800 | 98.00% |
| Carcinogenicity (trinary) | Non-required | 0.7437 | 74.37% |
| Eye corrosion | - | 0.9902 | 99.02% |
| Eye irritation | - | 0.9846 | 98.46% |
| Skin irritation | - | 0.8577 | 85.77% |
| Skin corrosion | - | 0.9595 | 95.95% |
| Ames mutagenesis | - | 0.8300 | 83.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.4721 | 47.21% |
| Micronuclear | - | 0.8141 | 81.41% |
| Hepatotoxicity | - | 0.6625 | 66.25% |
| skin sensitisation | - | 0.9299 | 92.99% |
| Respiratory toxicity | + | 0.6222 | 62.22% |
| Reproductive toxicity | - | 0.7111 | 71.11% |
| Mitochondrial toxicity | + | 0.7250 | 72.50% |
| Nephrotoxicity | - | 0.6273 | 62.73% |
| Acute Oral Toxicity (c) | IV | 0.6240 | 62.40% |
| Estrogen receptor binding | - | 0.6837 | 68.37% |
| Androgen receptor binding | - | 0.7486 | 74.86% |
| Thyroid receptor binding | - | 0.5804 | 58.04% |
| Glucocorticoid receptor binding | - | 0.5998 | 59.98% |
| Aromatase binding | - | 0.5883 | 58.83% |
| PPAR gamma | - | 0.5657 | 56.57% |
| Honey bee toxicity | - | 0.7403 | 74.03% |
| Biodegradation | - | 0.5500 | 55.00% |
| Crustacea aquatic toxicity | - | 0.9800 | 98.00% |
| Fish aquatic toxicity | - | 0.9267 | 92.67% |
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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.47% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.38% | 96.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.14% | 86.92% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.91% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.06% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.69% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.21% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.19% | 95.89% |
| CHEMBL3589 | P55263 | Adenosine kinase | 81.09% | 98.05% |
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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| PubChem | 4427707 |
| LOTUS | LTS0135585 |
| wikiData | Q105383207 |