[(1S,4R,9R,10R,13R,14R)-5,5,9,14-tetramethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] tetracosanoate
| Internal ID | f06e4f1f-2dff-41f4-8f73-a60aa58d2399 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | [(1S,4R,9R,10R,13R,14R)-5,5,9,14-tetramethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] tetracosanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H80O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-40(45)46-43(5)36-44-34-31-38-41(2,3)32-27-33-42(38,4)39(44)30-29-37(43)35-44/h37-39H,6-36H2,1-5H3/t37-,38-,39+,42-,43-,44+/m1/s1 |
| InChI Key | OHBBQFWOONELLQ-NZUSQUMVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C44H80O2 |
| Molecular Weight | 641.10 g/mol |
| Exact Mass | 640.61583179 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 18.20 |
| There are no found synonyms. |
![2D Structure of [(1S,4R,9R,10R,13R,14R)-5,5,9,14-tetramethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] tetracosanoate](https://plantaedb.com/storage/docs/compounds/2023/11/9492e4b0-85ea-11ee-aa64-75f0dba43de5.jpg "2D Structure of [(1S,4R,9R,10R,13R,14R)-5,5,9,14-tetramethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] tetracosanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.01% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.00% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.48% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.41% | 91.11% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.10% | 92.86% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.91% | 92.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.88% | 98.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 92.67% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.32% | 99.17% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 91.49% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.77% | 100.00% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 89.40% | 90.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.98% | 94.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.59% | 95.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.52% | 97.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.50% | 97.29% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.82% | 82.69% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.72% | 98.03% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.78% | 94.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.59% | 91.24% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.81% | 93.56% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.97% | 97.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.68% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.53% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.33% | 91.19% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.27% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.45% | 92.62% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.11% | 91.81% |
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.
| Fritillaria monantha |
| PubChem | 162951672 |
| LOTUS | LTS0096958 |
| wikiData | Q105191978 |