3-[3-Hydroxy-2-(5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl)-2,3-dimethyl-6-(1-oxopropan-2-ylidene)cyclohexyl]propyl hexadecanoate
| Internal ID | 72928af8-a9d4-4be1-870f-508ea8ebf635 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | 3-[3-hydroxy-2-(5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl)-2,3-dimethyl-6-(1-oxopropan-2-ylidene)cyclohexyl]propyl hexadecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C46H80O5/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-29-44(49)51-35-24-28-42-41(40(6)36-47)32-34-46(8,50)45(42,7)33-23-27-39(5)43(48)31-30-38(4)26-22-25-37(2)3/h25,27,30,36,42-43,48,50H,9-24,26,28-29,31-35H2,1-8H3 |
| InChI Key | LCUTYJNSPXSBGY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C46H80O5 |
| Molecular Weight | 713.10 g/mol |
| Exact Mass | 712.60057565 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 13.70 |
| There are no found synonyms. |
![2D Structure of 3-[3-Hydroxy-2-(5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl)-2,3-dimethyl-6-(1-oxopropan-2-ylidene)cyclohexyl]propyl hexadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/6f6571e0-85c0-11ee-989a-e37c461ce570.jpg "2D Structure of 3-[3-Hydroxy-2-(5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl)-2,3-dimethyl-6-(1-oxopropan-2-ylidene)cyclohexyl]propyl 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 | 98.87% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.25% | 94.45% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.00% | 92.86% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.93% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.45% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 96.05% | 92.08% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 95.74% | 98.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.43% | 99.17% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 93.47% | 91.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 92.86% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.43% | 90.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.39% | 97.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.29% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.19% | 98.75% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 88.39% | 97.50% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 88.27% | 96.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.00% | 95.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.86% | 97.79% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.29% | 96.90% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.49% | 89.05% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.49% | 91.19% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 85.04% | 95.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.38% | 85.94% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 84.11% | 90.24% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.68% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.48% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.95% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.73% | 92.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.03% | 94.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.93% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.79% | 90.08% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.79% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.78% | 93.03% |
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.
| Iris tectorum |
| PubChem | 163059284 |
| LOTUS | LTS0060499 |
| wikiData | Q105149999 |