3-Acetyloxy-3-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,4,5,6,6a,7,8,8a,11,12-decahydropicene-4a-carboxylic acid
| Internal ID | b53e5137-d531-41d4-96c7-08bd2638f7c4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3-acetyloxy-3-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,4,5,6,6a,7,8,8a,11,12-decahydropicene-4a-carboxylic acid |
| SMILES (Canonical) | CC(=O)OC1(CC2(CCC3(C(=C2CC1(C)C)C=CC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C(=O)O)O |
| SMILES (Isomeric) | CC(=O)OC1(CC2(CCC3(C(=C2CC1(C)C)C=CC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C(=O)O)O |
| InChI | InChI=1S/C32H46O6/c1-19(33)38-32(37)18-31(25(35)36)16-15-29(7)20(21(31)17-26(32,2)3)9-10-23-28(6)13-12-24(34)27(4,5)22(28)11-14-30(23,29)8/h9-10,22-23,37H,11-18H2,1-8H3,(H,35,36) |
| InChI Key | JXQWECUYHGGLLB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H46O6 |
| Molecular Weight | 526.70 g/mol |
| Exact Mass | 526.32943918 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 5.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.96% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.88% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.88% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.49% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.96% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.73% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.76% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.24% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.53% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.42% | 82.69% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.16% | 93.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.90% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.75% | 93.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.53% | 93.04% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.14% | 91.07% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.89% | 94.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.09% | 90.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.02% | 91.19% |
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.
| Tetrapanax papyrifer |
| PubChem | 162849142 |
| LOTUS | LTS0091185 |
| wikiData | Q105136726 |