Methylparaben
| Internal ID | af203973-b7bf-4bb1-bb5c-d58a6a48a44a |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > p-Hydroxybenzoic acid esters > p-Hydroxybenzoic acid alkyl esters |
| IUPAC Name | methyl 4-hydroxybenzoate |
| SMILES (Canonical) | COC(=O)C1=CC=C(C=C1)O |
| SMILES (Isomeric) | COC(=O)C1=CC=C(C=C1)O |
| InChI | InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3 |
| InChI Key | LXCFILQKKLGQFO-UHFFFAOYSA-N |
| Popularity | 3,799 references in papers |
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.15 g/mol |
| Exact Mass | 152.047344113 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 2.00 |
| METHYLPARABEN |
| 99-76-3 |
| Methyl paraben |
| Methyl p-hydroxybenzoate |
| Nipagin |
| Methyl parahydroxybenzoate |
| Tegosept M |
| Moldex |
| Maseptol |
| p-Methoxycarbonylphenol |
| 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 |
|---|---|---|---|---|---|
| CHEMBL261 | P00915 | Carbonic anhydrase I |
2600 nM |
Ki |
PMID: 22668600
|
| CHEMBL205 | P00918 | Carbonic anhydrase II |
3400 nM |
Ki |
PMID: 22668600
|
| CHEMBL3594 | Q16790 | Carbonic anhydrase IX |
5500 nM |
Ki |
PMID: 22668600
|
| CHEMBL2326 | P43166 | Carbonic anhydrase VII |
780 nM 780 nM |
Ki Ki |
PMID: 22668600
via Super-PRED |
| CHEMBL3242 | O43570 | Carbonic anhydrase XII |
820 nM 820 nM |
Ki Ki |
PMID: 22668600
via Super-PRED |
| CHEMBL3510 | Q9ULX7 | Carbonic anhydrase XIV |
4100 nM |
Ki |
PMID: 22668600
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.38% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.86% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.40% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.05% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.51% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.37% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.77% | 98.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.15% | 100.00% |
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.
| PubChem | 7456 |
| NPASS | NPC131192 |
| ChEMBL | CHEMBL325372 |
| LOTUS | LTS0224398 |
| wikiData | Q229987 |