(2,3,10-Triacetyloxy-7-hydroxy-4,14,16,16-tetramethyl-8-methylidene-13-oxo-15-oxatetracyclo[9.4.1.01,14.04,9]hexadecan-5-yl) acetate
| Internal ID | 4a80b617-f29c-43a7-a68b-44dbdacfc5a0 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | (2,3,10-triacetyloxy-7-hydroxy-4,14,16,16-tetramethyl-8-methylidene-13-oxo-15-oxatetracyclo[9.4.1.01,14.04,9]hexadecan-5-yl) acetate |
| SMILES (Canonical) | CC(=O)OC1CC(C(=C)C2C1(C(C(C34C(C(C2OC(=O)C)CC(=O)C3(O4)C)(C)C)OC(=O)C)OC(=O)C)C)O |
| SMILES (Isomeric) | CC(=O)OC1CC(C(=C)C2C1(C(C(C34C(C(C2OC(=O)C)CC(=O)C3(O4)C)(C)C)OC(=O)C)OC(=O)C)C)O |
| InChI | InChI=1S/C28H38O11/c1-12-18(33)11-20(35-13(2)29)26(8)21(12)22(36-14(3)30)17-10-19(34)27(9)28(39-27,25(17,6)7)24(38-16(5)32)23(26)37-15(4)31/h17-18,20-24,33H,1,10-11H2,2-9H3 |
| InChI Key | OYGYAJRTYGLJDV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H38O11 |
| Molecular Weight | 550.60 g/mol |
| Exact Mass | 550.24141202 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of (2,3,10-Triacetyloxy-7-hydroxy-4,14,16,16-tetramethyl-8-methylidene-13-oxo-15-oxatetracyclo[9.4.1.01,14.04,9]hexadecan-5-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/1acf4590-87c9-11ee-9654-fb91f05825fe.jpg "2D Structure of (2,3,10-Triacetyloxy-7-hydroxy-4,14,16,16-tetramethyl-8-methylidene-13-oxo-15-oxatetracyclo[9.4.1.01,14.04,9]hexadecan-5-yl) 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.07% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.39% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.39% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.38% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.27% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.38% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.69% | 82.69% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.53% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.43% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.56% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.55% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.89% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.61% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.98% | 97.79% |
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 canadensis |
| Taxus cuspidata |
| PubChem | 78384770 |
| LOTUS | LTS0183315 |
| wikiData | Q105203200 |