2-Butenoic acid, 2-methyl-
| Internal ID | a06c1023-ef91-482d-8d91-040b9d618e99 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Branched fatty acids > Methyl-branched fatty acids |
| IUPAC Name | 2-methylbut-2-enoic acid |
| SMILES (Canonical) | CC=C(C)C(=O)O |
| SMILES (Isomeric) | CC=C(C)C(=O)O |
| InChI | InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7) |
| InChI Key | UIERETOOQGIECD-UHFFFAOYSA-N |
| Popularity | 2,249 references in papers |
| Molecular Formula | C5H8O2 |
| Molecular Weight | 100.12 g/mol |
| Exact Mass | 100.052429494 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 1.00 |
| 13201-46-2 |
| Crotonic acid, 2-methyl- |
| 2-Butenoic acid, methyl- |
| MFCD00002654 |
| CH3CH=C(CH3)COOH |
| .alpha.-Methylcrotonic acid |
| 2-methyl-but-2-enoic acid |
| DTXSID50861643 |
| AKOS025243576 |
| SY053021 |
| 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 | 82.08% | 96.09% |
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.
| Angelica archangelica |
| Azadirachta indica |
| Lithospermum erythrorhizon |
| Lomatium nuttallii |
| Senecio mitophyllus |
| Vitis vinifera |
| PubChem | 6656 |
| LOTUS | LTS0155598 |
| wikiData | Q27116830 |