[(2S,4R,5S,6S,10S,11R,12R,13R,14S,15R)-13-acetyloxy-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-prop-1-en-2-yl-3-oxatetracyclo[9.4.0.02,4.06,10]pentadec-8-en-15-yl] (2E,4E)-tetradeca-2,4-dienoate
| Internal ID | 802bcb10-2932-4741-94e2-fe77a68bf1a9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Rhamnofolane and daphnane diterpenoids |
| IUPAC Name | [(2S,4R,5S,6S,10S,11R,12R,13R,14S,15R)-13-acetyloxy-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-prop-1-en-2-yl-3-oxatetracyclo[9.4.0.02,4.06,10]pentadec-8-en-15-yl] (2E,4E)-tetradeca-2,4-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H52O11/c1-7-8-9-10-11-12-13-14-15-16-17-18-26(39)46-31-27-30-33(20-37,47-30)32(41)36(44)25(19-22(4)28(36)40)35(27,43)23(5)29(45-24(6)38)34(31,42)21(2)3/h15-19,23,25,27,29-32,37,41-44H,2,7-14,20H2,1,3-6H3/b16-15+,18-17+/t23-,25+,27?,29-,30+,31-,32-,33+,34+,35+,36-/m1/s1 |
| InChI Key | KBVXOECUNSNMHD-MMTWISNCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H52O11 |
| Molecular Weight | 660.80 g/mol |
| Exact Mass | 660.35096247 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of [(2S,4R,5S,6S,10S,11R,12R,13R,14S,15R)-13-acetyloxy-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-prop-1-en-2-yl-3-oxatetracyclo[9.4.0.02,4.06,10]pentadec-8-en-15-yl] (2E,4E)-tetradeca-2,4-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/fe2f5580-860f-11ee-8e49-dbdd28fc462a.jpg "2D Structure of [(2S,4R,5S,6S,10S,11R,12R,13R,14S,15R)-13-acetyloxy-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-prop-1-en-2-yl-3-oxatetracyclo[9.4.0.02,4.06,10]pentadec-8-en-15-yl] (2E,4E)-tetradeca-2,4-dienoate")
| 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 | 96.19% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.06% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.46% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.96% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.81% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.53% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.14% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.94% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.42% | 95.56% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 90.88% | 96.90% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.64% | 96.95% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 89.62% | 92.32% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.75% | 83.82% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.16% | 97.79% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.40% | 89.34% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.47% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.17% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.62% | 89.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.89% | 98.03% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.99% | 91.81% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.94% | 91.19% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.63% | 100.00% |
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.
| Wikstroemia retusa |
| PubChem | 101949526 |
| LOTUS | LTS0068583 |
| wikiData | Q105138561 |