[(1R,2R,6S,7S,8R,10S,11S,12R,16S,17R,18R)-17-acetyloxy-6,7-dihydroxy-4,18-dimethyl-5-oxo-16-prop-1-en-2-yl-14-[(1E,3E)-trideca-1,3-dienyl]-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-8-yl]methyl (E)-pentadec-5-enoate
| Internal ID | 54358563-7423-4873-b8b2-7052331d7c7d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Rhamnofolane and daphnane diterpenoids |
| IUPAC Name | [(1R,2R,6S,7S,8R,10S,11S,12R,16S,17R,18R)-17-acetyloxy-6,7-dihydroxy-4,18-dimethyl-5-oxo-16-prop-1-en-2-yl-14-[(1E,3E)-trideca-1,3-dienyl]-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-8-yl]methyl (E)-pentadec-5-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C51H76O11/c1-8-10-12-14-16-18-20-21-23-25-27-29-31-40(53)57-34-47-44(59-47)41-45-50(35(3)4)43(58-38(7)52)37(6)51(41,39-33-36(5)42(54)49(39,56)46(47)55)62-48(60-45,61-50)32-30-28-26-24-22-19-17-15-13-11-9-2/h23,25-26,28,30,32-33,37,39,41,43-46,55-56H,3,8-22,24,27,29,31,34H2,1-2,4-7H3/b25-23+,28-26+,32-30+/t37-,39-,41+,43-,44+,45-,46-,47+,48?,49-,50+,51+/m1/s1 |
| InChI Key | YUDODVIHLKUPET-BVKCYXTOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C51H76O11 |
| Molecular Weight | 865.10 g/mol |
| Exact Mass | 864.53876324 g/mol |
| Topological Polar Surface Area (TPSA) | 150.00 Ų |
| XlogP | 11.20 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,6S,7S,8R,10S,11S,12R,16S,17R,18R)-17-acetyloxy-6,7-dihydroxy-4,18-dimethyl-5-oxo-16-prop-1-en-2-yl-14-[(1E,3E)-trideca-1,3-dienyl]-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-8-yl]methyl (E)-pentadec-5-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/989e2810-84bd-11ee-9111-796e4cff8935.jpg "2D Structure of [(1R,2R,6S,7S,8R,10S,11S,12R,16S,17R,18R)-17-acetyloxy-6,7-dihydroxy-4,18-dimethyl-5-oxo-16-prop-1-en-2-yl-14-[(1E,3E)-trideca-1,3-dienyl]-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-8-yl]methyl (E)-pentadec-5-enoate")
| 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 | 98.15% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 97.53% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.66% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.00% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.52% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 93.81% | 85.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.51% | 86.33% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.27% | 98.03% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.70% | 90.08% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.10% | 94.80% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.71% | 96.90% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.51% | 90.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.50% | 92.08% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 87.47% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.22% | 94.73% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 87.17% | 92.32% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.19% | 89.34% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.83% | 92.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.15% | 91.24% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.07% | 94.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.94% | 89.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.70% | 89.63% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.73% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.50% | 96.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.22% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.32% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.17% | 83.82% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.77% | 97.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.19% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.15% | 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 | 102066365 |
| LOTUS | LTS0133478 |
| wikiData | Q105362648 |