(2,9,10-Triacetyloxy-1-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl) 3-(dimethylamino)-3-phenylpropanoate
| Internal ID | bec6f207-cc5d-4df3-ba8a-c5f3fdf1a3d0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Taxanes and derivatives |
| IUPAC Name | (2,9,10-triacetyloxy-1-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl) 3-(dimethylamino)-3-phenylpropanoate |
| SMILES (Canonical) | CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)(CC1=O)O)OC(=O)C)OC(=O)CC(C4=CC=CC=C4)N(C)C)C)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)(CC1=O)O)OC(=O)C)OC(=O)CC(C4=CC=CC=C4)N(C)C)C)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C37H49NO10/c1-20-27(42)19-37(44)33(46-23(4)40)31-21(2)28(48-29(43)18-26(38(9)10)25-14-12-11-13-15-25)16-17-36(31,8)34(47-24(5)41)32(45-22(3)39)30(20)35(37,6)7/h11-15,26,28,31-34,44H,2,16-19H2,1,3-10H3 |
| InChI Key | ZJHORUWDAUIHTD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H49NO10 |
| Molecular Weight | 667.80 g/mol |
| Exact Mass | 667.33564676 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (2,9,10-Triacetyloxy-1-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl) 3-(dimethylamino)-3-phenylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/a3971920-84c4-11ee-989f-05ce7436b268.jpg "2D Structure of (2,9,10-Triacetyloxy-1-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl) 3-(dimethylamino)-3-phenylpropanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.83% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.11% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 97.01% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.61% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.40% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.01% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.99% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.32% | 91.19% |
| CHEMBL5028 | O14672 | ADAM10 | 88.59% | 97.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.55% | 86.33% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.88% | 94.08% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.57% | 95.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.18% | 96.47% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.94% | 93.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.77% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.15% | 82.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.58% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.46% | 97.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.18% | 98.10% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.71% | 96.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.51% | 99.23% |
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 |
| PubChem | 75013175 |
| LOTUS | LTS0240961 |
| wikiData | Q104247060 |