(2R,3S,5R,6R)-(113C)cyclohexane-1,2,3,4,5,6-hexol
| Internal ID | 832b1983-599e-4e13-9e54-eea7df9c5d23 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols > Cyclohexanols |
| IUPAC Name | (2R,3S,5R,6R)-(113C)cyclohexane-1,2,3,4,5,6-hexol |
| SMILES (Canonical) | C1(C(C(C(C(C1O)O)O)O)O)O |
| SMILES (Isomeric) | [C@H]1([C@H]([13CH]([C@@H]([C@@H](C1O)O)O)O)O)O |
| InChI | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3?,4?,5-,6+/m1/s1/i1+1/t1?,2-,3-,4-,5+,6?/m0 |
| InChI Key | CDAISMWEOUEBRE-MAQROVEYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C6H12O6 |
| Molecular Weight | 181.15 g/mol |
| Exact Mass | 181.06674293 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | -3.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.44% | 96.09% |
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compound!
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