Methyl 2-[4,5,11-triacetyloxy-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-7-yl]acetate
| Internal ID | d1197331-b06d-4afa-847e-87948160e1da |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | methyl 2-[4,5,11-triacetyloxy-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-7-yl]acetate |
| SMILES (Canonical) | CC(=O)OC1C2C(C(C(C1OC(=O)C)(C)C)CC(=O)OC)(C(=O)C3C(C4(C(OC(=O)CC4(C3=C)O2)C5=COC=C5)C)OC(=O)C)C |
| SMILES (Isomeric) | CC(=O)OC1C2C(C(C(C1OC(=O)C)(C)C)CC(=O)OC)(C(=O)C3C(C4(C(OC(=O)CC4(C3=C)O2)C5=COC=C5)C)OC(=O)C)C |
| InChI | InChI=1S/C33H40O13/c1-15-23-25(39)31(7)20(12-21(37)40-9)30(5,6)28(44-18(4)36)24(42-16(2)34)29(31)46-33(15)13-22(38)45-26(19-10-11-41-14-19)32(33,8)27(23)43-17(3)35/h10-11,14,20,23-24,26-29H,1,12-13H2,2-9H3 |
| InChI Key | OPKAZEDWFLMYKP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H40O13 |
| Molecular Weight | 644.70 g/mol |
| Exact Mass | 644.24689133 g/mol |
| Topological Polar Surface Area (TPSA) | 171.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of Methyl 2-[4,5,11-triacetyloxy-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-7-yl]acetate](https://plantaedb.com/storage/docs/compounds/2023/11/ed83e230-855b-11ee-ad5f-73e61da3ee35.jpg "2D Structure of Methyl 2-[4,5,11-triacetyloxy-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-9,15-dioxo-2,14-dioxatetracyclo[8.6.1.01,12.03,8]heptadecan-7-yl]acetate")
| 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 | 99.25% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.67% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.54% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.41% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.12% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.58% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.43% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.31% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.87% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.55% | 92.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.47% | 94.80% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.76% | 94.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.69% | 97.79% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.57% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.01% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.00% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.58% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 80.38% | 97.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.12% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.07% | 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.
| Cipadessa baccifera |
| PubChem | 73318387 |
| LOTUS | LTS0130886 |
| wikiData | Q105196401 |