2C-Methyl-D-erythritol 2,4-cyclodiphosphate
| Internal ID | f2cf72ea-965d-4f96-91b9-e04c8ec92e5f |
| Taxonomy | Organic oxygen compounds > Organic oxoanionic compounds > Organic pyrophosphates |
| IUPAC Name | (6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-6-methyl-2,4-dioxo-1,3,5,2lambda5,4lambda5-trioxadiphosphocan-7-ol |
| SMILES (Canonical) | CC1(C(COP(=O)(OP(=O)(O1)O)O)O)CO |
| SMILES (Isomeric) | C[C@@]1([C@@H](COP(=O)(OP(=O)(O1)O)O)O)CO |
| InChI | InChI=1S/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1 |
| InChI Key | SFRQRNJMIIUYDI-UHNVWZDZSA-N |
| Popularity | 206 references in papers |
| Molecular Formula | C5H12O9P2 |
| Molecular Weight | 278.09 g/mol |
| Exact Mass | 277.99565595 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | -2.80 |
| 143488-44-2 |
| 3-Methyl-1,2,3,4-tetrahydroxybutane-1,3-cyclic bisphosphate |
| 2-C-Methyl-D-erythritol 2,4-cyclodiphosphate |
| 2-C-methyl-D-erythritol 2,4-cyclic diphosphate |
| (6S,7R)-6-(hydroxymethyl)-6-methyl-1,3,5,2,4-trioxadiphosphocane-2,4,7-triol 2,4-dioxide |
| 1,3,5,2,4-Trioxadiphosphocane-6-methanol, 2,4,7-trihydroxy-6-methyl-, 2,4-dioxide, trans- |
| 3-Mthbcp |
| SCHEMBL11952572 |
| CHEBI:18425 |
| DTXSID501123383 |
| 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 | 91.42% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.52% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.01% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.34% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.39% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.99% | 83.82% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.20% | 96.95% |
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.
| Arabidopsis thaliana |
| PubChem | 126747 |
| LOTUS | LTS0208549 |
| wikiData | Q27103069 |