(8-Formyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,10a,11,12,12a-decahydrochrysen-6-yl) acetate
| Internal ID | 0c90f9f3-56b0-4b9e-bb8e-4fc6cb565d5e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | (8-formyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,10a,11,12,12a-decahydrochrysen-6-yl) acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H38O3/c1-17(28)29-22-14-21-24(4)12-7-11-23(2,3)19(24)10-13-25(21,5)20-9-8-18(16-27)15-26(20,22)6/h8-9,15-16,19-22H,7,10-14H2,1-6H3 |
| InChI Key | ISTWYNFFPIEGFP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H38O3 |
| Molecular Weight | 398.60 g/mol |
| Exact Mass | 398.28209507 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 6.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.82% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.94% | 94.45% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 92.07% | 94.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.05% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.38% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.77% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.05% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.17% | 94.62% |
| CHEMBL5028 | O14672 | ADAM10 | 86.80% | 97.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.63% | 93.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.13% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.88% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.69% | 82.69% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.63% | 100.00% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 81.82% | 94.97% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.79% | 85.30% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.61% | 98.95% |
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 | 73190653 |
| LOTUS | LTS0095496 |
| wikiData | Q105119814 |