(2S)-2-methylbutane-1,2,3,4-tetrol
| Internal ID | 53d3264f-2a01-4a88-8dd4-7b6c53fee3c2 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Sugar alcohols |
| IUPAC Name | (2S)-2-methylbutane-1,2,3,4-tetrol |
| SMILES (Canonical) | CC(CO)(C(CO)O)O |
| SMILES (Isomeric) | C[C@](CO)(C(CO)O)O |
| InChI | InChI=1S/C5H12O4/c1-5(9,3-7)4(8)2-6/h4,6-9H,2-3H2,1H3/t4?,5-/m0/s1 |
| InChI Key | HGVJFBSSLICXEM-AKGZTFGVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C5H12O4 |
| Molecular Weight | 136.15 g/mol |
| Exact Mass | 136.07355886 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | -2.20 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.82% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.58% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.16% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.10% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.11% | 85.14% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.34% | 97.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.93% | 94.73% |
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.
To see more specific details click the taxa you are interested in.
| Anethum graveolens |
| Capsicum annuum |
| Coriandrum sativum |
| Ferula sinaica |
| Liriodendron tulipifera |
| PubChem | 138113829 |
| LOTUS | LTS0087898 |
| wikiData | Q104397590 |