Fendleral C
| Internal ID | e3d4edf9-2245-4682-8219-72cf827a1b84 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Benzofuranones |
| IUPAC Name | 5-[[(1S,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-3-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde |
| SMILES (Canonical) | CC1=C(C(=C2C(OC(=O)C2=C1OC)O)C=O)OCC3C4(CCCC(C4CCC3(C)O)(C)C)C |
| SMILES (Isomeric) | CC1=C(C(=C2C(OC(=O)C2=C1OC)O)C=O)OC[C@@H]3[C@]4(CCCC([C@@H]4CC[C@@]3(C)O)(C)C)C |
| InChI | InChI=1S/C26H36O7/c1-14-20(15(12-27)18-19(21(14)31-6)23(29)33-22(18)28)32-13-17-25(4)10-7-9-24(2,3)16(25)8-11-26(17,5)30/h12,16-17,22,28,30H,7-11,13H2,1-6H3/t16-,17+,22?,25-,26+/m0/s1 |
| InChI Key | JQJFBXCDIYEGAU-RNWXAJMESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H36O7 |
| Molecular Weight | 460.60 g/mol |
| Exact Mass | 460.24610348 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.92% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.55% | 97.25% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 95.47% | 92.98% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.80% | 91.11% |
| CHEMBL1871 | P10275 | Androgen Receptor | 91.96% | 96.43% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.30% | 96.38% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 89.52% | 99.18% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.49% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.31% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.65% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.36% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.82% | 91.07% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.15% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.64% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.17% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.10% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.03% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.66% | 100.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.25% | 82.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.08% | 95.89% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.14% | 92.97% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.41% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.22% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.53% | 93.99% |
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 | 146683475 |
| LOTUS | LTS0063943 |
| wikiData | Q105133512 |