methyl (1S,2S,4R,7S,8R,11S,13S,14S)-2-acetyloxy-11-methyl-6,9,16-trioxo-4-(3-oxoprop-1-en-2-yl)-15,17,18-trioxatetracyclo[11.2.2.18,11.01,14]octadecane-7-carboxylate
| Internal ID | 6b93481b-2f21-436b-b283-e23328502297 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | methyl (1S,2S,4R,7S,8R,11S,13S,14S)-2-acetyloxy-11-methyl-6,9,16-trioxo-4-(3-oxoprop-1-en-2-yl)-15,17,18-trioxatetracyclo[11.2.2.18,11.01,14]octadecane-7-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H26O11/c1-10(9-24)12-5-13(26)17(20(28)30-4)18-14(27)7-22(3,33-18)8-15-19-23(34-19,21(29)32-15)16(6-12)31-11(2)25/h9,12,15-19H,1,5-8H2,2-4H3/t12-,15-,16-,17+,18-,19-,22+,23-/m0/s1 |
| InChI Key | KSXUAYYEMGKRGW-JHNSSJNNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26O11 |
| Molecular Weight | 478.40 g/mol |
| Exact Mass | 478.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of methyl (1S,2S,4R,7S,8R,11S,13S,14S)-2-acetyloxy-11-methyl-6,9,16-trioxo-4-(3-oxoprop-1-en-2-yl)-15,17,18-trioxatetracyclo[11.2.2.18,11.01,14]octadecane-7-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/088174e0-861a-11ee-8fa9-ebc3835dcc7e.jpg "2D Structure of methyl (1S,2S,4R,7S,8R,11S,13S,14S)-2-acetyloxy-11-methyl-6,9,16-trioxo-4-(3-oxoprop-1-en-2-yl)-15,17,18-trioxatetracyclo[11.2.2.18,11.01,14]octadecane-7-carboxylate")
| 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 | 95.52% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 94.92% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.36% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.16% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.02% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.44% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.33% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.13% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.05% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.72% | 95.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.69% | 98.75% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.25% | 95.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.71% | 92.62% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.67% | 98.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.43% | 99.17% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.06% | 96.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.87% | 89.50% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.70% | 97.05% |
| CHEMBL5028 | O14672 | ADAM10 | 80.58% | 97.50% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.30% | 80.00% |
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 | 163067461 |
| LOTUS | LTS0079174 |
| wikiData | Q105145648 |