[4-Acetyloxy-3-hydroxy-2,6,10,10-tetramethyl-7-(3-phenylprop-2-enoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
| Internal ID | b54ddc1d-9f14-4611-b0f0-8e236d995778 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Agarofurans |
| IUPAC Name | [4-acetyloxy-3-hydroxy-2,6,10,10-tetramethyl-7-(3-phenylprop-2-enoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate |
| SMILES (Canonical) | CC1C(C(C(C2(C13CC(CC2OC(=O)C=CC4=CC=CC=C4)C(O3)(C)C)C)OC(=O)C5=CC=CC=C5)OC(=O)C)O |
| SMILES (Isomeric) | CC1C(C(C(C2(C13CC(CC2OC(=O)C=CC4=CC=CC=C4)C(O3)(C)C)C)OC(=O)C5=CC=CC=C5)OC(=O)C)O |
| InChI | InChI=1S/C33H38O8/c1-20-27(36)28(38-21(2)34)29(40-30(37)23-14-10-7-11-15-23)32(5)25(18-24-19-33(20,32)41-31(24,3)4)39-26(35)17-16-22-12-8-6-9-13-22/h6-17,20,24-25,27-29,36H,18-19H2,1-5H3 |
| InChI Key | DIKIZDXXAPONTM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H38O8 |
| Molecular Weight | 562.60 g/mol |
| Exact Mass | 562.25666817 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of [4-Acetyloxy-3-hydroxy-2,6,10,10-tetramethyl-7-(3-phenylprop-2-enoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/cc075440-8469-11ee-9af8-ad514ade1414.jpg "2D Structure of [4-Acetyloxy-3-hydroxy-2,6,10,10-tetramethyl-7-(3-phenylprop-2-enoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate")
| 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 | 97.91% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.01% | 90.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.10% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.06% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.76% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.45% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.17% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.60% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.74% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.14% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.26% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.02% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.82% | 91.07% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.10% | 94.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.50% | 97.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.47% | 94.62% |
| CHEMBL5028 | O14672 | ADAM10 | 83.90% | 97.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.36% | 93.99% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.22% | 83.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.20% | 90.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.69% | 81.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.19% | 95.89% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.39% | 90.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.82% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.25% | 99.17% |
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.
| Zinowiewia integerrima |
| PubChem | 72813501 |
| LOTUS | LTS0188546 |
| wikiData | Q104981423 |