(3R,4S)-2,5-dimethyl-3-vinyl-hex-5-ene-2,4-diol
| Internal ID | 7d75ac97-603b-42b6-a425-a944326f98fd |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | (3R,4S)-3-ethenyl-2,5-dimethylhex-5-ene-2,4-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H18O2/c1-6-8(10(4,5)12)9(11)7(2)3/h6,8-9,11-12H,1-2H2,3-5H3/t8-,9-/m1/s1 |
| InChI Key | MNNUMABXOYEVSY-RKDXNWHRSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.25 g/mol |
| Exact Mass | 170.130679813 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 1.70 |
| 4-(1-Hydroxy-1-methyl-ethyl)-2-methyl-hexa-1,5-dien-3-ol |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.62% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.70% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.87% | 85.14% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.84% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.81% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.37% | 83.82% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.20% | 97.29% |
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.
| Achillea filipendulina |
| Artemisia giraldii |
| PubChem | 5273756 |
| LOTUS | LTS0103086 |
| wikiData | Q105168491 |