methyl 2-[(1S,3R,5R,7Z,10S,11S,13R)-10,13-diacetyloxy-3,8-dimethyl-6,9,15-trioxo-4,16-dioxatricyclo[12.2.1.03,5]heptadeca-7,14(17)-dien-11-yl]prop-2-enoate
| Internal ID | 16d0967c-6585-4d3d-86ec-0497b3291df0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | methyl 2-[(1S,3R,5R,7Z,10S,11S,13R)-10,13-diacetyloxy-3,8-dimethyl-6,9,15-trioxo-4,16-dioxatricyclo[12.2.1.03,5]heptadeca-7,14(17)-dien-11-yl]prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H28O11/c1-11-7-18(28)22-25(5,36-22)10-15-8-17(24(31)35-15)19(33-13(3)26)9-16(12(2)23(30)32-6)21(20(11)29)34-14(4)27/h7-8,15-16,19,21-22H,2,9-10H2,1,3-6H3/b11-7-/t15-,16+,19-,21+,22+,25-/m1/s1 |
| InChI Key | RNDAYVNSDZTQEQ-KZWVBBRFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H28O11 |
| Molecular Weight | 504.50 g/mol |
| Exact Mass | 504.16316171 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of methyl 2-[(1S,3R,5R,7Z,10S,11S,13R)-10,13-diacetyloxy-3,8-dimethyl-6,9,15-trioxo-4,16-dioxatricyclo[12.2.1.03,5]heptadeca-7,14(17)-dien-11-yl]prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/5cbd6600-85c7-11ee-b20a-f55e66986550.jpg "2D Structure of methyl 2-[(1S,3R,5R,7Z,10S,11S,13R)-10,13-diacetyloxy-3,8-dimethyl-6,9,15-trioxo-4,16-dioxatricyclo[12.2.1.03,5]heptadeca-7,14(17)-dien-11-yl]prop-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 | 98.06% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.49% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.88% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.83% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.42% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.20% | 99.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.16% | 94.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 88.57% | 94.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.81% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.68% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.37% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.01% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.47% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.84% | 91.07% |
| CHEMBL5028 | O14672 | ADAM10 | 81.01% | 97.50% |
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.
| There are no matching plants. |
| PubChem | 101860751 |
| LOTUS | LTS0010115 |
| wikiData | Q105241247 |