3-hydroxy-7-[(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]-5-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carboxylic acid
| Internal ID | ca93c648-b792-4f8e-a6a4-6af0192e0923 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Phthalic acid and derivatives > M-phthalic acid and derivatives |
| IUPAC Name | 3-hydroxy-7-[(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]-5-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H36O8/c1-13-19(32-6)17(21(27)28)16-18(23(30)34-22(16)29)20(13)33-12-15-25(4)10-7-9-24(2,3)14(25)8-11-26(15,5)31/h14-15,22,29,31H,7-12H2,1-6H3,(H,27,28) |
| InChI Key | VXXREXCZEJDFCH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H36O8 |
| Molecular Weight | 476.60 g/mol |
| Exact Mass | 476.24101810 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 3-hydroxy-7-[(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]-5-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/f4abf8e0-863a-11ee-bb19-b1bb9989d87a.jpg "2D Structure of 3-hydroxy-7-[(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]-5-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carboxylic 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.28% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.27% | 97.25% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.42% | 95.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.88% | 91.11% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 92.45% | 92.98% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.95% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.99% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.79% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.37% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.27% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.38% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.19% | 91.07% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.55% | 93.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.63% | 82.38% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.70% | 93.99% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.19% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.68% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.40% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 80.48% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.14% | 92.62% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.07% | 96.43% |
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.
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| There are no matching plants. |
| PubChem | 162815171 |
| LOTUS | LTS0062151 |
| wikiData | Q104199983 |