[(1R,2R,5S,7R,8R,9S,10S,11R,18R)-7-acetyloxy-9,18-dihydroxy-12,12-dimethyl-6-methylidene-16-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate
| Internal ID | 96c49844-74fe-4080-a08e-c40ac93375b8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | [(1R,2R,5S,7R,8R,9S,10S,11R,18R)-7-acetyloxy-9,18-dihydroxy-12,12-dimethyl-6-methylidene-16-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H32O8/c1-11-14-7-8-15-22-10-6-9-21(4,5)16(22)19(31-13(3)26)24(29,32-20(22)28)23(15,17(14)27)18(11)30-12(2)25/h14-19,27,29H,1,6-10H2,2-5H3/t14-,15-,16+,17+,18+,19-,22+,23+,24+/m0/s1 |
| InChI Key | OKNRSGXAIBIFKP-DJTGOUJOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H32O8 |
| Molecular Weight | 448.50 g/mol |
| Exact Mass | 448.20971797 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,5S,7R,8R,9S,10S,11R,18R)-7-acetyloxy-9,18-dihydroxy-12,12-dimethyl-6-methylidene-16-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6f2c7270-8580-11ee-ba9f-5525dd6a5414.jpg "2D Structure of [(1R,2R,5S,7R,8R,9S,10S,11R,18R)-7-acetyloxy-9,18-dihydroxy-12,12-dimethyl-6-methylidene-16-oxo-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 | 97.76% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.07% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.68% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.84% | 94.45% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 91.50% | 83.57% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.90% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.74% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.91% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.56% | 97.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.90% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.69% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.95% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.39% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.03% | 92.62% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.03% | 96.38% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.83% | 91.07% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.67% | 97.28% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.15% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.61% | 91.24% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.11% | 82.50% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.79% | 90.08% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.04% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.03% | 89.00% |
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.
| Isodon nervosus |
| PubChem | 54597428 |
| LOTUS | LTS0026667 |
| wikiData | Q105193658 |