[(5'S,6R,7S,9S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl] hexadecanoate
| Internal ID | 816a5887-cfce-47e2-879a-2b0682f3d615 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [(5'S,6R,7S,9S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl] hexadecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C43H72O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-39(44)46-34-23-25-41(4)33(28-34)20-21-35-36(41)24-26-42(5)37(35)29-38-40(42)32(3)43(47-38)27-22-31(2)30-45-43/h20,31-32,34-38,40H,6-19,21-30H2,1-5H3/t31-,32-,34-,35?,36?,37?,38?,40?,41-,42-,43+/m0/s1 |
| InChI Key | UTLFPCHHNIPLBC-OXKCFPPRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C43H72O4 |
| Molecular Weight | 653.00 g/mol |
| Exact Mass | 652.54306077 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 13.60 |
| There are no found synonyms. |
![2D Structure of [(5'S,6R,7S,9S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl] hexadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/e581ec80-87c4-11ee-aba9-e35ffa62a90c.jpg "2D Structure of [(5'S,6R,7S,9S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl] hexadecanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.38% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.46% | 97.25% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 96.25% | 92.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.86% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.49% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.27% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.94% | 99.17% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 93.12% | 89.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.43% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 92.06% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.01% | 98.95% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 91.98% | 94.08% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.83% | 97.79% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.11% | 92.86% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.66% | 98.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.19% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.18% | 96.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.12% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.34% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.07% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.92% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.02% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.92% | 86.33% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 86.20% | 86.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.86% | 89.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.18% | 97.50% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.59% | 97.29% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.90% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 81.86% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.14% | 92.62% |
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.
| Dioscorea collettii |
| PubChem | 5315385 |
| LOTUS | LTS0070214 |
| wikiData | Q105278859 |