Puberulic Acid
| Internal ID | a529ec87-d842-4787-9657-bfde2f76fd36 |
| Taxonomy | Hydrocarbon derivatives > Tropones > Tropolones |
| IUPAC Name | 4,5,6-trihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid |
| SMILES (Canonical) | C1=C(C=C(C(=C(C1=O)O)O)O)C(=O)O |
| SMILES (Isomeric) | C1=C(C=C(C(=C(C1=O)O)O)O)C(=O)O |
| InChI | InChI=1S/C8H6O6/c9-4-1-3(8(13)14)2-5(10)7(12)6(4)11/h1-2H,(H,13,14)(H3,9,10,11,12) |
| InChI Key | RRDGXYZZWSIADF-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C8H6O6 |
| Molecular Weight | 198.13 g/mol |
| Exact Mass | 198.01643791 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | -0.60 |
| Puberlic acid |
| 99-23-0 |
| UNII-456JC9FRVK |
| 456JC9FRVK |
| PUBERULIC ACID [MI] |
| SCHEMBL524294 |
| CHEMBL3588897 |
| SCHEMBL21100911 |
| DTXSID70879321 |
| Q27258814 |
| 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 | 96.99% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 91.98% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 89.08% | 94.42% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.07% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.83% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.94% | 90.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 83.79% | 81.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.51% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.47% | 99.17% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 81.89% | 95.71% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 81.81% | 87.67% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.68% | 99.15% |
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 | 592860 |
| LOTUS | LTS0207883 |
| wikiData | Q27258814 |