1,2-Butanediol
| Internal ID | d8126a01-1e4b-4162-a25d-4b729f5a64f3 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Polyols > 1,2-diols |
| IUPAC Name | butane-1,2-diol |
| SMILES (Canonical) | CCC(CO)O |
| SMILES (Isomeric) | CCC(CO)O |
| InChI | InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3 |
| InChI Key | BMRWNKZVCUKKSR-UHFFFAOYSA-N |
| Popularity | 382 references in papers |
| Molecular Formula | C4H10O2 |
| Molecular Weight | 90.12 g/mol |
| Exact Mass | 90.068079557 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | -0.20 |
| 584-03-2 |
| butane-1,2-diol |
| 1,2-Butylene glycol |
| 1,2-Dihydroxybutane |
| alpha-Butyleneglycol |
| alpha-Butylene glycol |
| 1,2-Butandiol |
| 26171-83-5 |
| Butanediol, 1,2- |
| 1,2-(Dihydroxy)butane |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.55% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.96% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.42% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.52% | 97.29% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.31% | 98.75% |
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.
| Vitis vinifera |
| PubChem | 11429 |
| LOTUS | LTS0074252 |
| wikiData | Q161457 |