(2,3,10-Triacetyloxy-11,14-dihydroxy-4,15,15-trimethyl-8-methylidene-13-oxo-7-tetracyclo[9.3.1.01,9.04,9]pentadecanyl) 3-phenylprop-2-enoate
| Internal ID | 2db1ad84-eee6-412c-8fd0-cef8ebcd5699 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | (2,3,10-triacetyloxy-11,14-dihydroxy-4,15,15-trimethyl-8-methylidene-13-oxo-7-tetracyclo[9.3.1.01,9.04,9]pentadecanyl) 3-phenylprop-2-enoate |
| SMILES (Canonical) | CC(=O)OC1C(C23C(C(=O)CC(C2(C)C)(C(C34C1(CCC(C4=C)OC(=O)C=CC5=CC=CC=C5)C)OC(=O)C)O)O)OC(=O)C |
| SMILES (Isomeric) | CC(=O)OC1C(C23C(C(=O)CC(C2(C)C)(C(C34C1(CCC(C4=C)OC(=O)C=CC5=CC=CC=C5)C)OC(=O)C)O)O)OC(=O)C |
| InChI | InChI=1S/C34H40O11/c1-18-24(45-25(39)14-13-22-11-9-8-10-12-22)15-16-31(7)27(42-19(2)35)28(43-20(3)36)34-26(40)23(38)17-32(41,30(34,5)6)29(33(18,31)34)44-21(4)37/h8-14,24,26-29,40-41H,1,15-17H2,2-7H3 |
| InChI Key | JIQPDHUZIJFMKO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H40O11 |
| Molecular Weight | 624.70 g/mol |
| Exact Mass | 624.25706209 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (2,3,10-Triacetyloxy-11,14-dihydroxy-4,15,15-trimethyl-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/daac82c0-8612-11ee-abfa-2938f61116da.jpg "2D Structure of (2,3,10-Triacetyloxy-11,14-dihydroxy-4,15,15-trimethyl-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 | 98.48% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.20% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.29% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.16% | 94.62% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.97% | 90.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.47% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.75% | 98.95% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 90.36% | 94.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.43% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.29% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.25% | 94.45% |
| CHEMBL5028 | O14672 | ADAM10 | 85.19% | 97.50% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 83.41% | 94.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.08% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.22% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.09% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.55% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.61% | 91.07% |
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 | 162997820 |
| LOTUS | LTS0050257 |
| wikiData | Q105129270 |