Crustinic acid
| Internal ID | be3cfbe9-8a02-4abf-ac2a-8c8ad611c640 |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | 3-[4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl]oxy-4,6-dihydroxy-2-methylbenzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H20O11/c1-9-4-12(25)6-14(26)18(9)23(32)34-13-5-10(2)19(15(27)7-13)24(33)35-21-11(3)20(22(30)31)16(28)8-17(21)29/h4-8,25-29H,1-3H3,(H,30,31) |
| InChI Key | PXEWPVIKVBSHLU-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C24H20O11 |
| Molecular Weight | 484.40 g/mol |
| Exact Mass | 484.10056145 g/mol |
| Topological Polar Surface Area (TPSA) | 191.00 Ų |
| XlogP | 5.20 |
| 3-(4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl)oxy-4,6-dihydroxy-2-methylbenzoic acid |
| 3-[4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl]oxy-4,6-dihydroxy-2-methylbenzoic acid |
| RefChem:128575 |
| CHEBI:144221 |
| 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 |
|---|---|---|---|---|
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.95% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 91.10% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.52% | 90.00% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 89.89% | 95.70% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.17% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.69% | 99.17% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 86.27% | 96.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.35% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.03% | 93.56% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.82% | 94.42% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.53% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.04% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.31% | 94.73% |
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 | 102318064 |
| LOTUS | LTS0082623 |
| wikiData | Q77368282 |