3-Methylbut-1-en-1-ol
| Internal ID | 868be443-332d-4cba-8cb4-2d8c06b2fff3 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Enols |
| IUPAC Name | 3-methylbut-1-en-1-ol |
| SMILES (Canonical) | CC(C)C=CO |
| SMILES (Isomeric) | CC(C)C=CO |
| InChI | InChI=1S/C5H10O/c1-5(2)3-4-6/h3-6H,1-2H3 |
| InChI Key | QVDTXNVYSHVCGW-UHFFFAOYSA-N |
| Popularity | 140 references in papers |
| Molecular Formula | C5H10O |
| Molecular Weight | 86.13 g/mol |
| Exact Mass | 86.073164938 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 1.50 |
| QVDTXNVYSHVCGW-UHFFFAOYSA-N |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.03% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.14% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.17% | 93.56% |
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.
| Bupleurum falcatum |
| PubChem | 152927 |
| LOTUS | LTS0093759 |
| wikiData | Q105228605 |