1-O-(3,7,11,15-tetramethylhexadec-2-enyl) 3-O-(5,5,9-trimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) propanedioate
| Internal ID | 54b5490e-5407-4634-9ea8-86f29dda1a7e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 1-O-(3,7,11,15-tetramethylhexadec-2-enyl) 3-O-(5,5,9-trimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) propanedioate |
| SMILES (Canonical) | CC(C)CCCC(C)CCCC(C)CCCC(=CCOC(=O)CC(=O)OC1C(=C)C2CCC3C1(C2)CCC4C3(CCCC4(C)C)C)C |
| SMILES (Isomeric) | CC(C)CCCC(C)CCCC(C)CCCC(=CCOC(=O)CC(=O)OC1C(=C)C2CCC3C1(C2)CCC4C3(CCCC4(C)C)C)C |
| InChI | InChI=1S/C43H72O4/c1-30(2)14-10-15-31(3)16-11-17-32(4)18-12-19-33(5)23-27-46-38(44)28-39(45)47-40-34(6)35-20-21-37-42(9)25-13-24-41(7,8)36(42)22-26-43(37,40)29-35/h23,30-32,35-37,40H,6,10-22,24-29H2,1-5,7-9H3 |
| InChI Key | JFPUWIXCTKDILT-UHFFFAOYSA-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) | 52.60 Ų |
| XlogP | 14.70 |
| There are no found synonyms. |
![2D Structure of 1-O-(3,7,11,15-tetramethylhexadec-2-enyl) 3-O-(5,5,9-trimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) propanedioate](https://plantaedb.com/storage/docs/compounds/2023/11/31d87320-810d-11ee-a570-09a645141b22.jpg "2D Structure of 1-O-(3,7,11,15-tetramethylhexadec-2-enyl) 3-O-(5,5,9-trimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) propanedioate")
| 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.75% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.59% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.66% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.82% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.64% | 96.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 94.43% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.42% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.32% | 82.69% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 92.57% | 95.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.23% | 94.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.06% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.60% | 91.19% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.99% | 94.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.99% | 98.10% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.25% | 82.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.15% | 96.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.11% | 94.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.10% | 90.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.46% | 90.17% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.42% | 97.50% |
| CHEMBL5028 | O14672 | ADAM10 | 85.35% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.30% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.78% | 99.17% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 84.10% | 92.97% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.04% | 91.24% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.60% | 92.88% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.51% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.48% | 96.90% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.34% | 93.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.10% | 95.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.07% | 97.09% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 82.60% | 96.33% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 82.39% | 95.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 82.21% | 89.33% |
| CHEMBL2474 | P53582 | Methionine aminopeptidase 1 | 81.85% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.73% | 89.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.44% | 90.71% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.40% | 91.03% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.24% | 92.50% |
| CHEMBL5646 | Q6L5J4 | FML2_HUMAN | 80.69% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.06% | 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.
| Nardia succulenta |
| PubChem | 162888872 |
| LOTUS | LTS0073073 |
| wikiData | Q105126817 |