(15-Acetyloxy-6,10,14-trihydroxy-13,16,17,17-tetramethyl-7-oxahexacyclo[7.6.1.11,4.02,9.02,13.06,16]heptadecan-3-yl) acetate
| Internal ID | 9ad249be-bf0a-4092-ae1d-e438ea11f2f5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
| IUPAC Name | (15-acetyloxy-6,10,14-trihydroxy-13,16,17,17-tetramethyl-7-oxahexacyclo[7.6.1.11,4.02,9.02,13.06,16]heptadecan-3-yl) acetate |
| SMILES (Canonical) | CC(=O)OC1C2CC3(C4(C5(C16C4(C2(C)C)C(C(C6(CCC5O)C)O)OC(=O)C)CO3)C)O |
| SMILES (Isomeric) | CC(=O)OC1C2CC3(C4(C5(C16C4(C2(C)C)C(C(C6(CCC5O)C)O)OC(=O)C)CO3)C)O |
| InChI | InChI=1S/C24H34O8/c1-11(25)31-16-13-9-22(29)20(6)21(10-30-22)14(27)7-8-19(5)15(28)17(32-12(2)26)23(20,18(13,3)4)24(16,19)21/h13-17,27-29H,7-10H2,1-6H3 |
| InChI Key | NGMFMMAWUVIFEZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H34O8 |
| Molecular Weight | 450.50 g/mol |
| Exact Mass | 450.22536804 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of (15-Acetyloxy-6,10,14-trihydroxy-13,16,17,17-tetramethyl-7-oxahexacyclo[7.6.1.11,4.02,9.02,13.06,16]heptadecan-3-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/46912560-85f2-11ee-bb1f-4189e01c2573.jpg "2D Structure of (15-Acetyloxy-6,10,14-trihydroxy-13,16,17,17-tetramethyl-7-oxahexacyclo[7.6.1.11,4.02,9.02,13.06,16]heptadecan-3-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.45% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.60% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.42% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.24% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.99% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.80% | 89.05% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.27% | 96.77% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.97% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.03% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.77% | 82.69% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.73% | 89.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.49% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.36% | 95.56% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.25% | 82.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.86% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.38% | 91.07% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.15% | 95.50% |
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 |
| PubChem | 74425779 |
| LOTUS | LTS0079878 |
| wikiData | Q105179015 |