3-Bromo-5-hydroxy-4-methoxybenzoic acid
| Internal ID | 67ad198d-cdd2-4fe0-a26a-1cecc5b24b2d |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > P-methoxybenzoic acids and derivatives |
| IUPAC Name | 3-bromo-5-hydroxy-4-methoxybenzoic acid |
| SMILES (Canonical) | COC1=C(C=C(C=C1Br)C(=O)O)O |
| SMILES (Isomeric) | COC1=C(C=C(C=C1Br)C(=O)O)O |
| InChI | InChI=1S/C8H7BrO4/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,10H,1H3,(H,11,12) |
| InChI Key | XKPMZMJYQDNWDG-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C8H7BrO4 |
| Molecular Weight | 247.04 g/mol |
| Exact Mass | 245.95277 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 1.80 |
| 52783-66-1 |
| CHEMBL89826 |
| Benzoic acid, 3-bromo-5-hydroxy-4-methoxy- |
| 3-bromo-5-hydroxy-4-methoxy benzoic acid |
| XKPMZMJYQDNWDG-UHFFFAOYSA- |
| DTXSID10513191 |
| CCA78366 |
| BDBM50405314 |
| MFCD23701476 |
| AKOS016009196 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.23% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.86% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.54% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.91% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 86.42% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.35% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.25% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.08% | 98.75% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 82.85% | 95.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.65% | 94.42% |
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.
| There are no matching plants. |
| PubChem | 12928010 |
| LOTUS | LTS0132523 |
| wikiData | Q82372856 |