(11-Acetyloxy-13-benzoyloxy-1-hydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl) benzoate
| Internal ID | 037f542f-cb4a-4f4d-a2ca-ecaec572d5b7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (11-acetyloxy-13-benzoyloxy-1-hydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl) benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H40O8/c1-20-17-26-27(35(26,5)6)18-28(43-33(39)24-13-9-7-10-14-24)22(3)31(42-23(4)37)29-30(21(2)19-36(29,41)32(20)38)44-34(40)25-15-11-8-12-16-25/h7-17,21,26-31,41H,3,18-19H2,1-2,4-6H3 |
| InChI Key | NELSZIWJYBGDFE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H40O8 |
| Molecular Weight | 600.70 g/mol |
| Exact Mass | 600.27231823 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of (11-Acetyloxy-13-benzoyloxy-1-hydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl) benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/68c21e20-86d3-11ee-bfcb-19c4977c5042.jpg "2D Structure of (11-Acetyloxy-13-benzoyloxy-1-hydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl) 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 | 96.40% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.87% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.73% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.93% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.61% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.01% | 94.62% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.94% | 97.79% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.78% | 82.69% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 89.07% | 94.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.92% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.36% | 91.19% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.04% | 83.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.71% | 95.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.20% | 97.25% |
| CHEMBL5028 | O14672 | ADAM10 | 83.97% | 97.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.66% | 97.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.02% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.38% | 96.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.74% | 97.14% |
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.
| Euphorbia lathyris |
| PubChem | 163043671 |
| LOTUS | LTS0112617 |
| wikiData | Q105178029 |