Methyl 3-formyl-2,4-dihydroxy-6-methylbenzoate
| Internal ID | 748bf30e-0962-4628-817a-b55c7c23d304 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > p-Hydroxybenzoic acid esters > p-Hydroxybenzoic acid alkyl esters |
| IUPAC Name | methyl 3-formyl-2,4-dihydroxy-6-methylbenzoate |
| SMILES (Canonical) | CC1=CC(=C(C(=C1C(=O)OC)O)C=O)O |
| SMILES (Isomeric) | CC1=CC(=C(C(=C1C(=O)OC)O)C=O)O |
| InChI | InChI=1S/C10H10O5/c1-5-3-7(12)6(4-11)9(13)8(5)10(14)15-2/h3-4,12-13H,1-2H3 |
| InChI Key | PXFMUVDLJWXOQM-UHFFFAOYSA-N |
| Popularity | 13 references in papers |
| Molecular Formula | C10H10O5 |
| Molecular Weight | 210.18 g/mol |
| Exact Mass | 210.05282342 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 2.00 |
| Methyl hematommate |
| 34874-90-3 |
| Methyl 3-formyl-2,4-dihydroxy-6-methylbenzoate |
| CHEMBL470649 |
| Methyl Beta-Orcinol Carboxylate |
| Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, methyl ester |
| Methyl haematomate |
| MLS000697753 |
| DTXSID60343723 |
| CHEBI:144173 |
| 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 |
|---|---|---|---|---|
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 98.98% | 98.11% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.37% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.85% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.27% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 83.56% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.47% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.46% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.28% | 96.00% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 80.77% | 95.70% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.76% | 94.00% |
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.
| Astragalus pectinatus |
| Coffea pseudozanguebariae |
| Fleischmannia hymenophylla |
| Harungana madagascariensis |
| Helleborus niger |
| Pilosella officinarum |
| Roystonea regia |
| Solanum tomentosum |
| PubChem | 591773 |
| NPASS | NPC99441 |
| ChEMBL | CHEMBL470649 |
| LOTUS | LTS0104668 |
| wikiData | Q63398814 |