(4-Acetyloxy-12-formyl-1,11,11-trimethyl-10-oxo-5-propan-2-yl-8-tricyclo[7.3.1.02,7]trideca-2,4,6-trienyl) acetate
| Internal ID | 977fce37-a0dc-47b5-841e-29a7130ad8b9 |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | (4-acetyloxy-12-formyl-1,11,11-trimethyl-10-oxo-5-propan-2-yl-8-tricyclo[7.3.1.02,7]trideca-2,4,6-trienyl) acetate |
| SMILES (Canonical) | CC(C)C1=C(C=C2C(=C1)C(C3CC2(C(C(C3=O)(C)C)C=O)C)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC(C)C1=C(C=C2C(=C1)C(C3CC2(C(C(C3=O)(C)C)C=O)C)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C24H30O6/c1-12(2)15-8-16-18(9-19(15)29-13(3)26)24(7)10-17(21(16)30-14(4)27)22(28)23(5,6)20(24)11-25/h8-9,11-12,17,20-21H,10H2,1-7H3 |
| InChI Key | WPFFFCFKBSDSFI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30O6 |
| Molecular Weight | 414.50 g/mol |
| Exact Mass | 414.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 86.70 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (4-Acetyloxy-12-formyl-1,11,11-trimethyl-10-oxo-5-propan-2-yl-8-tricyclo[7.3.1.02,7]trideca-2,4,6-trienyl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/8dc66660-85e0-11ee-875f-29ede741d5a6.jpg "2D Structure of (4-Acetyloxy-12-formyl-1,11,11-trimethyl-10-oxo-5-propan-2-yl-8-tricyclo[7.3.1.02,7]trideca-2,4,6-trienyl) acetate")
| 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 | 98.35% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.31% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.31% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.83% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.17% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.59% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.76% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.83% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.93% | 97.25% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 82.19% | 95.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.55% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.34% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.00% | 85.14% |
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.
| Chamaecyparis obtusa |
| PubChem | 162931571 |
| LOTUS | LTS0197930 |
| wikiData | Q105309849 |