(2,3-Diacetyloxy-10-hydroxy-4,14,15,15-tetramethyl-8-methylidene-13-oxo-7-tetracyclo[9.3.1.01,9.04,9]pentadecanyl) 3-phenylprop-2-enoate
| Internal ID | 56ec6fdf-5cd1-4864-97bd-22f925eb822a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
| IUPAC Name | (2,3-diacetyloxy-10-hydroxy-4,14,15,15-tetramethyl-8-methylidene-13-oxo-7-tetracyclo[9.3.1.01,9.04,9]pentadecanyl) 3-phenylprop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H40O8/c1-18-24(36)17-23-27(38)32-19(2)25(41-26(37)14-13-22-11-9-8-10-12-22)15-16-31(32,7)28(39-20(3)34)29(40-21(4)35)33(18,32)30(23,5)6/h8-14,18,23,25,27-29,38H,2,15-17H2,1,3-7H3 |
| InChI Key | AUQLZVXBVCIIIZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H40O8 |
| Molecular Weight | 564.70 g/mol |
| Exact Mass | 564.27231823 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of (2,3-Diacetyloxy-10-hydroxy-4,14,15,15-tetramethyl-8-methylidene-13-oxo-7-tetracyclo[9.3.1.01,9.04,9]pentadecanyl) 3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/4101ab60-854f-11ee-870b-85deb145cbd0.jpg "2D Structure of (2,3-Diacetyloxy-10-hydroxy-4,14,15,15-tetramethyl-8-methylidene-13-oxo-7-tetracyclo[9.3.1.01,9.04,9]pentadecanyl) 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 | 98.62% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.67% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.59% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.65% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.48% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.90% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.91% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.95% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 84.89% | 97.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.65% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.67% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.30% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.12% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.77% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.70% | 91.07% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.24% | 94.08% |
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 | 85261776 |
| LOTUS | LTS0206780 |
| wikiData | Q104919081 |