(1R,2S,3S,4R,8R,9R,11R)-8-formyl-11-hydroxy-4-methyl-12-methylidenetetracyclo[9.2.2.01,9.03,8]pentadecane-2,4-dicarboxylic acid
| Internal ID | 2afdebd6-d93d-4847-9d92-691cca863899 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | (1R,2S,3S,4R,8R,9R,11R)-8-formyl-11-hydroxy-4-methyl-12-methylidenetetracyclo[9.2.2.01,9.03,8]pentadecane-2,4-dicarboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H26O6/c1-11-8-18-6-7-20(11,26)9-12(18)19(10-21)5-3-4-17(2,16(24)25)14(19)13(18)15(22)23/h10,12-14,26H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13-,14-,17-,18-,19-,20-/m1/s1 |
| InChI Key | WGYAERWVUYZRAO-DCTHVCBSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H26O6 |
| Molecular Weight | 362.40 g/mol |
| Exact Mass | 362.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of (1R,2S,3S,4R,8R,9R,11R)-8-formyl-11-hydroxy-4-methyl-12-methylidenetetracyclo[9.2.2.01,9.03,8]pentadecane-2,4-dicarboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/838fcfe0-8298-11ee-b595-4f53296dfe60.jpg "2D Structure of (1R,2S,3S,4R,8R,9R,11R)-8-formyl-11-hydroxy-4-methyl-12-methylidenetetracyclo[9.2.2.01,9.03,8]pentadecane-2,4-dicarboxylic 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.06% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.69% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.09% | 96.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.79% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.31% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.30% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.81% | 100.00% |
| PubChem | 163098010 |
| LOTUS | LTS0133191 |
| wikiData | Q105305051 |