Beta-Collatolic acid
| Internal ID | 5e70d814-a844-48ec-a249-629b60f38532 |
| Taxonomy | Phenylpropanoids and polyketides > Isocoumarins and derivatives |
| IUPAC Name | 4,6-dihydroxy-3-(6-methoxy-1-oxo-3-pentylisochromen-8-yl)oxy-2-(2-oxoheptyl)benzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H34O9/c1-4-6-8-10-18(30)14-21-26(28(33)34)22(31)16-23(32)27(21)38-24-15-20(36-3)13-17-12-19(11-9-7-5-2)37-29(35)25(17)24/h12-13,15-16,31-32H,4-11,14H2,1-3H3,(H,33,34) |
| InChI Key | NDOGMEJTCDSZAS-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C29H34O9 |
| Molecular Weight | 526.60 g/mol |
| Exact Mass | 526.22028266 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 6.60 |
| CHEBI:144200 |
| 4,6-Dihydroxy-3-(6-methoxy-1-oxo-3-pentylisochromen-8-yl)oxy-2-(2-oxoheptyl)benzoic acid |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 99.51% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.42% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.10% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.39% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.21% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.05% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.48% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.23% | 96.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.18% | 93.99% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.77% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.03% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.72% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.25% | 96.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 88.80% | 94.42% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.26% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.59% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.29% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 86.12% | 90.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.60% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.84% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.78% | 94.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.07% | 93.31% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.06% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.93% | 90.71% |
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 | 12303790 |
| LOTUS | LTS0023702 |
| wikiData | Q105177653 |