[(2S)-2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] tetradec-13-enoate
| Internal ID | b938e047-db65-434c-8281-c8570b23acd6 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | [(2S)-2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] tetradec-13-enoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCC1(CCC2=C(O1)C(=C(C(=C2C)OC(=O)CCCCCCCCCCCC=C)C)C)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC[C@]1(CCC2=C(O1)C(=C(C(=C2C)OC(=O)CCCCCCCCCCCC=C)C)C)C |
| InChI | InChI=1S/C43H74O3/c1-7-9-11-13-15-17-19-20-21-23-25-27-29-31-34-43(6)35-33-39-38(5)41(36(3)37(4)42(39)46-43)45-40(44)32-30-28-26-24-22-18-16-14-12-10-8-2/h8H,2,7,9-35H2,1,3-6H3/t43-/m0/s1 |
| InChI Key | UYYFMMVVJLEKFH-QLKFWGTOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C43H74O3 |
| Molecular Weight | 639.00 g/mol |
| Exact Mass | 638.56379622 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 17.40 |
| There are no found synonyms. |
![2D Structure of [(2S)-2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] tetradec-13-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-hexadecyl-2578-tetramethyl-34-dihydrochromen-6-yl-tetradec-13-enoate.jpg "2D Structure of [(2S)-2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] tetradec-13-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 | 97.85% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.66% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.18% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.14% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.98% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.81% | 98.03% |
| CHEMBL240 | Q12809 | HERG | 92.19% | 89.76% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.18% | 89.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.07% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.75% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.00% | 89.63% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.46% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.94% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.82% | 97.79% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.57% | 98.75% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.26% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.86% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.81% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.41% | 90.17% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 82.14% | 93.81% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.47% | 94.33% |
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.
| Platanus orientalis |
| PubChem | 162875728 |
| LOTUS | LTS0137490 |
| wikiData | Q105282036 |