(2,3,10-Triacetyloxy-4,14,16,16-tetramethyl-8-methylidene-13-oxo-15-oxatetracyclo[9.4.1.01,14.04,9]hexadecan-7-yl) 3-phenylprop-2-enoate
| Internal ID | 744f8e9d-bd19-41cb-b965-20fdea99919d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | (2,3,10-triacetyloxy-4,14,16,16-tetramethyl-8-methylidene-13-oxo-15-oxatetracyclo[9.4.1.01,14.04,9]hexadecan-7-yl) 3-phenylprop-2-enoate |
| SMILES (Canonical) | CC(=O)OC1C2CC(=O)C3(C(C2(C)C)(O3)C(C(C4(C1C(=C)C(CC4)OC(=O)C=CC5=CC=CC=C5)C)OC(=O)C)OC(=O)C)C |
| SMILES (Isomeric) | CC(=O)OC1C2CC(=O)C3(C(C2(C)C)(O3)C(C(C4(C1C(=C)C(CC4)OC(=O)C=CC5=CC=CC=C5)C)OC(=O)C)OC(=O)C)C |
| InChI | InChI=1S/C35H42O10/c1-19-25(44-27(40)15-14-23-12-10-9-11-13-23)16-17-33(7)28(19)29(41-20(2)36)24-18-26(39)34(8)35(45-34,32(24,5)6)31(43-22(4)38)30(33)42-21(3)37/h9-15,24-25,28-31H,1,16-18H2,2-8H3 |
| InChI Key | ZVYBIARXHLUXGT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H42O10 |
| Molecular Weight | 622.70 g/mol |
| Exact Mass | 622.27779753 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of (2,3,10-Triacetyloxy-4,14,16,16-tetramethyl-8-methylidene-13-oxo-15-oxatetracyclo[9.4.1.01,14.04,9]hexadecan-7-yl) 3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/22488f50-86c1-11ee-bfe9-8b946109f2cf.jpg "2D Structure of (2,3,10-Triacetyloxy-4,14,16,16-tetramethyl-8-methylidene-13-oxo-15-oxatetracyclo[9.4.1.01,14.04,9]hexadecan-7-yl) 3-phenylprop-2-enoate")
| 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 | 98.64% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.97% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.97% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.65% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.83% | 95.50% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 91.49% | 92.97% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.99% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.50% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.37% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.95% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.60% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 87.59% | 97.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.97% | 94.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.82% | 96.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.51% | 91.49% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.42% | 93.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.96% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.92% | 94.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.28% | 91.19% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.82% | 83.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.54% | 89.00% |
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.
| Taxus baccata |
| Taxus canadensis |
| Taxus cuspidata |
| PubChem | 85448809 |
| LOTUS | LTS0185477 |
| wikiData | Q105384756 |