Lapidosin
| Internal ID | b5a6a761-a2d3-4f05-bff7-49fb82c269df |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives > Gallic acid and derivatives |
| IUPAC Name | methyl 8-hydroxy-3-[(Z)-1-hydroxy-3-oxobut-1-enyl]-7-methoxy-4-oxochromene-5-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H14O8/c1-7(17)4-10(18)9-6-24-15-12(13(9)19)8(16(21)23-3)5-11(22-2)14(15)20/h4-6,18,20H,1-3H3/b10-4- |
| InChI Key | BFEBUAKVHSKRTL-WMZJFQQLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H14O8 |
| Molecular Weight | 334.28 g/mol |
| Exact Mass | 334.06886740 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 1.10 |
| 69448-97-1 |
| 0SN5PE2Q4J |
| 4H-1-Benzopyran-5-carboxylic acid, 8-hydroxy-3-((1Z)-1-hydroxy-3-oxo-1-butenyl)-7-methoxy-4-oxo-, methyl ester |
| 8-Hydroxy-3-(1-hydroxy-3-oxo-1-butenyl)-7-methoxy-4-oxo-4H-1-benzopyran-5-carboxylic acid methyl ester |
| methyl (Z)-8-hydroxy-3-(1-hydroxy-3-oxobut-1-en-1-yl)-7-methoxy-4-oxo-4H-chromene-5-carboxylate |
| UNII-0SN5PE2Q4J |
| AKOS040752417 |
| methyl 8-hydroxy-3-[(Z)-1-hydroxy-3-oxobut-1-enyl]-7-methoxy-4-oxochromene-5-carboxylate |
| 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 | 99.12% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.50% | 94.45% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 93.52% | 94.42% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.09% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.03% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.37% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.84% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.27% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.87% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.68% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.73% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.81% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.70% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.36% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.21% | 91.07% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.76% | 90.20% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.71% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.61% | 89.00% |
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.
| There are no matching plants. |
| PubChem | 6440424 |
| LOTUS | LTS0122306 |
| wikiData | Q75065533 |