[3,4,11-Triacetyloxy-6-(acetyloxymethyl)-2-hydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-8-yl] 3-phenylprop-2-enoate
| Internal ID | 2feac0ac-76bf-4ed2-b148-2738fd566068 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | [3,4,11-triacetyloxy-6-(acetyloxymethyl)-2-hydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-8-yl] 3-phenylprop-2-enoate |
| SMILES (Canonical) | CC(=O)OCC1CC(C(=C)C2C1(C(C(C3(C4(COC3(C(=O)CC4C2OC(=O)C)C)C)O)OC(=O)C)OC(=O)C)C)OC(=O)C=CC5=CC=CC=C5 |
| SMILES (Isomeric) | CC(=O)OCC1CC(C(=C)C2C1(C(C(C3(C4(COC3(C(=O)CC4C2OC(=O)C)C)C)O)OC(=O)C)OC(=O)C)C)OC(=O)C=CC5=CC=CC=C5 |
| InChI | InChI=1S/C38H46O13/c1-20-28(51-30(44)15-14-25-12-10-9-11-13-25)16-26(18-46-21(2)39)36(7)31(20)32(48-22(3)40)27-17-29(43)37(8)38(45,35(27,6)19-47-37)34(50-24(5)42)33(36)49-23(4)41/h9-15,26-28,31-34,45H,1,16-19H2,2-8H3 |
| InChI Key | RRXYKLNOTDQWHQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H46O13 |
| Molecular Weight | 710.80 g/mol |
| Exact Mass | 710.29384152 g/mol |
| Topological Polar Surface Area (TPSA) | 178.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of [3,4,11-Triacetyloxy-6-(acetyloxymethyl)-2-hydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-8-yl] 3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/5aa6ca30-822e-11ee-880b-83d68ec6f6b5.jpg "2D Structure of [3,4,11-Triacetyloxy-6-(acetyloxymethyl)-2-hydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-8-yl] 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.48% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.30% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.57% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.89% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 95.47% | 95.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.32% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.28% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.95% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.09% | 91.49% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 91.69% | 94.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.20% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.56% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.33% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 86.63% | 97.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.50% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.69% | 89.34% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.64% | 93.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.96% | 97.79% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.83% | 94.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.53% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.72% | 96.95% |
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 | 162889848 |
| LOTUS | LTS0275683 |
| wikiData | Q105244428 |