[2,5,7-Triacetyloxy-13-chloro-12-(iodomethyl)-8,17-dimethyl-16-oxospiro[15,18-dioxatetracyclo[10.5.1.01,14.03,8]octadecane-4,2'-oxirane]-9-yl] acetate
| Internal ID | 5a0ca720-492c-43f8-a7ec-3c14747c747d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | [2,5,7-triacetyloxy-13-chloro-12-(iodomethyl)-8,17-dimethyl-16-oxospiro[15,18-dioxatetracyclo[10.5.1.01,14.03,8]octadecane-4,2'-oxirane]-9-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H36ClIO12/c1-12-24(35)41-23-21(29)26(10-30)8-7-17(37-13(2)31)25(6)18(38-14(3)32)9-19(39-15(4)33)27(11-36-27)20(25)22(40-16(5)34)28(12,23)42-26/h12,17-23H,7-11H2,1-6H3 |
| InChI Key | LJVXOXNEMVDEAL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H36ClIO12 |
| Molecular Weight | 726.90 g/mol |
| Exact Mass | 726.09400 g/mol |
| Topological Polar Surface Area (TPSA) | 153.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of [2,5,7-Triacetyloxy-13-chloro-12-(iodomethyl)-8,17-dimethyl-16-oxospiro[15,18-dioxatetracyclo[10.5.1.01,14.03,8]octadecane-4,2'-oxirane]-9-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/0a877c40-87c9-11ee-bd3f-5522bbbb8d9a.jpg "2D Structure of [2,5,7-Triacetyloxy-13-chloro-12-(iodomethyl)-8,17-dimethyl-16-oxospiro[15,18-dioxatetracyclo[10.5.1.01,14.03,8]octadecane-4,2'-oxirane]-9-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.31% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.16% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.63% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.72% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.09% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.91% | 94.80% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.31% | 89.05% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.09% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.08% | 91.07% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.25% | 96.77% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.86% | 97.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.54% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.71% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.66% | 99.23% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.57% | 94.42% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.38% | 93.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.37% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.27% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.03% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.93% | 93.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.86% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.86% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.82% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.55% | 89.34% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.11% | 94.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.08% | 85.00% |
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.
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| There are no matching plants. |
| PubChem | 75952398 |
| LOTUS | LTS0040852 |
| wikiData | Q105152853 |