[(1S,2S,3S,4S,5R,8R,9S,11R,12Z,14S,17R)-2,5,9-triacetyloxy-4-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.01,17.03,8]octadeca-6,12-dien-11-yl] octanoate
| Internal ID | 1866f4e6-a06d-4e0e-8044-88376bd6db01 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | [(1S,2S,3S,4S,5R,8R,9S,11R,12Z,14S,17R)-2,5,9-triacetyloxy-4-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.01,17.03,8]octadeca-6,12-dien-11-yl] octanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H48O12/c1-9-10-11-12-13-14-27(38)44-23-18-25(42-21(4)36)31(6)16-15-24(41-20(3)35)32(7,40)28(31)29(43-22(5)37)34-26(17-19(23)2)45-30(39)33(34,8)46-34/h15-17,23-26,28-29,40H,9-14,18H2,1-8H3/b19-17-/t23-,24-,25+,26+,28-,29+,31+,32-,33+,34+/m1/s1 |
| InChI Key | CSVDSXWAISTBNQ-HKHHRFESSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H48O12 |
| Molecular Weight | 648.70 g/mol |
| Exact Mass | 648.31457696 g/mol |
| Topological Polar Surface Area (TPSA) | 164.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of [(1S,2S,3S,4S,5R,8R,9S,11R,12Z,14S,17R)-2,5,9-triacetyloxy-4-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.01,17.03,8]octadeca-6,12-dien-11-yl] octanoate](https://plantaedb.com/storage/docs/compounds/2023/11/93103030-853b-11ee-8b21-adca8c857387.jpg "2D Structure of [(1S,2S,3S,4S,5R,8R,9S,11R,12Z,14S,17R)-2,5,9-triacetyloxy-4-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.01,17.03,8]octadeca-6,12-dien-11-yl] octanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.78% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.08% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.88% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.51% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.25% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.99% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.98% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.13% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.06% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.59% | 99.23% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.95% | 98.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.65% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.09% | 92.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.36% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.34% | 89.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.05% | 100.00% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 83.50% | 97.63% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.26% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.85% | 96.43% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.19% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.13% | 91.19% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.57% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.21% | 95.89% |
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 | 162800527 |
| LOTUS | LTS0051681 |
| wikiData | Q104969582 |