[(1R,2S,3S,5S,7R,8R,9S,10S,11R,16S,18R)-3,7,9,18-tetrahydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate
| Internal ID | 00946c70-8f2d-4373-a7c6-241c53c44d92 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | [(1R,2S,3S,5S,7R,8R,9S,10S,11R,16S,18R)-3,7,9,18-tetrahydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H34O8/c1-10-12-9-13(25)14-21-8-6-7-20(3,4)15(21)18(30-11(2)24)23(28,31-19(21)29-5)22(14,16(10)26)17(12)27/h12-19,25-28H,1,6-9H2,2-5H3/t12-,13-,14-,15+,16+,17+,18-,19-,21+,22-,23+/m0/s1 |
| InChI Key | LFLIJTKINZDKGG-NXLHQPHDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H34O8 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.22536804 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,3S,5S,7R,8R,9S,10S,11R,16S,18R)-3,7,9,18-tetrahydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/a24903d0-8557-11ee-850b-9b74c701a488.jpg "2D Structure of [(1R,2S,3S,5S,7R,8R,9S,10S,11R,16S,18R)-3,7,9,18-tetrahydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-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 | 99.29% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.07% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.91% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.84% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.96% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.84% | 91.07% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.83% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.82% | 91.24% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 86.20% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.74% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.73% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.56% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.55% | 97.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.42% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.91% | 97.09% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.89% | 97.28% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.88% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.85% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.66% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.85% | 85.14% |
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.
| Isodon adenolomus |
| PubChem | 162869155 |
| LOTUS | LTS0035498 |
| wikiData | Q105151061 |